7-[5-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enyl]-9-methyl-2,3,4,5,6,8-hexahydro-1H-purin-6-amine

C26H47N5 — CID 162803525

IUPAC7-[5-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enyl]-9-methyl-2,3,4,5,6,8-hexahydro-1H-purin-6-amine
SMILESC=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CCC(C)=CCN1CN(C)C2NCNC(N)C21
InChIInChI=1S/C26H47N5/c1-18(12-15-31-17-30(6)24-22(31)23(27)28-16-29-24)8-10-20-19(2)9-11-21-25(3,4)13-7-14-26(20,21)5/h12,20-24,28-29H,2,7-11,13-17,27H2,1,3-6H3/t20-,21-,22?,23?,24?,26+/m0/s1
InChIKeyGZCGKBVNLJYPIV-NNMUKRIJSA-N
MW429.70 g/mol
LogP3.85
Rot. Bonds5

About 7-[5-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enyl]-9-methyl-2,3,4,5,6,8-hexahydro-1H-purin-6-amine

7-[5-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enyl]-9-methyl-2,3,4,5,6,8-hexahydro-1H-purin-6-amine (PubChem CID 162803525) has the molecular formula C26H47N5 and a molecular weight of 429.70 g/mol. Its IUPAC name is 7-[5-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enyl]-9-methyl-2,3,4,5,6,8-hexahydro-1H-purin-6-amine.

Molecular Properties

Compound Name7-[5-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enyl]-9-methyl-2,3,4,5,6,8-hexahydro-1H-purin-6-amine
PubChem CID162803525
Molecular FormulaC26H47N5
Molecular Weight429.70 g/mol
Exact Mass429.38
IUPAC Name7-[5-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enyl]-9-methyl-2,3,4,5,6,8-hexahydro-1H-purin-6-amine
SMILESC=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CCC(C)=CCN1CN(C)C2NCNC(N)C21
InChIInChI=1S/C26H47N5/c1-18(12-15-31-17-30(6)24-22(31)23(27)28-16-29-24)8-10-20-19(2)9-11-21-25(3,4)13-7-14-26(20,21)5/h12,20-24,28-29H,2,7-11,13-17,27H2,1,3-6H3/t20-,21-,22?,23?,24?,26+/m0/s1
InChIKeyGZCGKBVNLJYPIV-NNMUKRIJSA-N
XLogP3.85
TPSA56.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.70
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 7-[5-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enyl]-9-methyl-2,3,4,5,6,8-hexahydro-1H-purin-6-amine with MolForge

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Related Compounds

7-[5-(1,2,4a,5-Tetramethyl-2,3,4,5,6,7-hexahydronaphthalen-1-yl)-3-methylpent-2-enyl]-9-methyl-1,2,3,4,5,6,8,9-octahydropurin-9-ium-6-amine
CID 162801775
7-[5-(1,2,4a,5-tetramethyl-2,3,4,5,6,7-hexahydronaphthalen-1-yl)-3-methylpent-2-enyl]-9-methyl-2,3,4,5,6,8-hexahydro-1H-purin-6-amine
CID 162801776
7-[5-[(1S,2R,4aS,5R)-1,2,4a,5-tetramethyl-2,3,4,5,6,7-hexahydronaphthalen-1-yl]-3-methylpent-2-enyl]-9-methyl-1,2,3,4,5,6,8,9-octahydropurin-9-ium-6-amine
CID 162801777
7-[5-[(1S,2R,4aS,5R)-1,2,4a,5-tetramethyl-2,3,4,5,6,7-hexahydronaphthalen-1-yl]-3-methylpent-2-enyl]-9-methyl-2,3,4,5,6,8-hexahydro-1H-purin-6-amine
CID 162801778
9-Methyl-7-[3-methyl-5-(1,2,5,5-tetramethyl-2,3,4,4a,6,7-hexahydronaphthalen-1-yl)pent-2-enyl]-1,2,3,4,5,6,8,9-octahydropurin-9-ium-6-amine
CID 162802271
9-methyl-7-[3-methyl-5-(1,2,5,5-tetramethyl-2,3,4,4a,6,7-hexahydronaphthalen-1-yl)pent-2-enyl]-2,3,4,5,6,8-hexahydro-1H-purin-6-amine
CID 162802272
7-[5-[(1R,2S,4aR)-1,2,5,5-tetramethyl-2,3,4,4a,6,7-hexahydronaphthalen-1-yl]-3-methylpent-2-enyl]-9-methyl-1,2,3,4,5,6,8,9-octahydropurin-9-ium-6-amine
CID 162802273
7-[5-[(1R,2S,4aR)-1,2,5,5-tetramethyl-2,3,4,4a,6,7-hexahydronaphthalen-1-yl]-3-methylpent-2-enyl]-9-methyl-2,3,4,5,6,8-hexahydro-1H-purin-6-amine
CID 162802274
7-[5-(5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)-3-methylpent-2-enyl]-9-methyl-1,2,3,4,5,6,8,9-octahydropurin-9-ium-6-amine
CID 162803522
7-[5-(5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)-3-methylpent-2-enyl]-9-methyl-2,3,4,5,6,8-hexahydro-1H-purin-6-amine
CID 162803523
7-[5-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enyl]-9-methyl-1,2,3,4,5,6,8,9-octahydropurin-9-ium-6-amine
CID 162803524
7-[5-(1,2,4a,5-Tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl)-3-methylpent-2-enyl]-9-methyl-1,2,3,4,5,6,8,9-octahydropurin-9-ium-6-amine
CID 162805322

Frequently Asked Questions

What is the IUPAC name of 7-[5-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enyl]-9-methyl-2,3,4,5,6,8-hexahydro-1H-purin-6-amine?
The IUPAC name of 7-[5-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enyl]-9-methyl-2,3,4,5,6,8-hexahydro-1H-purin-6-amine (CID 162803525) is 7-[5-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enyl]-9-methyl-2,3,4,5,6,8-hexahydro-1H-purin-6-amine.
What is the SMILES notation for 7-[5-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enyl]-9-methyl-2,3,4,5,6,8-hexahydro-1H-purin-6-amine?
The canonical SMILES for 7-[5-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enyl]-9-methyl-2,3,4,5,6,8-hexahydro-1H-purin-6-amine is C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CCC(C)=CCN1CN(C)C2NCNC(N)C21.
What is the InChIKey of 7-[5-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enyl]-9-methyl-2,3,4,5,6,8-hexahydro-1H-purin-6-amine?
The InChIKey is GZCGKBVNLJYPIV-NNMUKRIJSA-N. The full InChI is InChI=1S/C26H47N5/c1-18(12-15-31-17-30(6)24-22(31)23(27)28-16-29-24)8-10-20-19(2)9-11-21-25(3,4)13-7-14-26(20,21)5/h12,20-24,28-29H,2,7-11,13-17,27H2,1,3-6H3/t20-,21-,22?,23?,24?,26+/m0/s1.
What are the key properties of 7-[5-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enyl]-9-methyl-2,3,4,5,6,8-hexahydro-1H-purin-6-amine?
7-[5-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enyl]-9-methyl-2,3,4,5,6,8-hexahydro-1H-purin-6-amine has a molecular weight of 429.70 g/mol, XLogP of 3.85, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enyl]-9-methyl-2,3,4,5,6,8-hexahydro-1H-purin-6-amine is sourced from PubChem (CID 162803525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).