(4aS,8aR)-6-(4-methylpent-3-enyl)-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-amine

C16H27N — CID 59879318

IUPAC(4aS,8aR)-6-(4-methylpent-3-enyl)-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-amine
SMILESCC(C)=CCCC1=CC[C@H]2C(N)CCC[C@H]2C1
InChIInChI=1S/C16H27N/c1-12(2)5-3-6-13-9-10-15-14(11-13)7-4-8-16(15)17/h5,9,14-16H,3-4,6-8,10-11,17H2,1-2H3/t14-,15+,16?/m0/s1
InChIKeyGZBPBCSPJFWMGZ-QMRHZFGWSA-N
MW233.40 g/mol
LogP4.20
Rot. Bonds3

About (4aS,8aR)-6-(4-methylpent-3-enyl)-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-amine

(4aS,8aR)-6-(4-methylpent-3-enyl)-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-amine (PubChem CID 59879318) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is (4aS,8aR)-6-(4-methylpent-3-enyl)-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-amine.

Molecular Properties

Compound Name(4aS,8aR)-6-(4-methylpent-3-enyl)-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-amine
PubChem CID59879318
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name(4aS,8aR)-6-(4-methylpent-3-enyl)-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-amine
SMILESCC(C)=CCCC1=CC[C@H]2C(N)CCC[C@H]2C1
InChIInChI=1S/C16H27N/c1-12(2)5-3-6-13-9-10-15-14(11-13)7-4-8-16(15)17/h5,9,14-16H,3-4,6-8,10-11,17H2,1-2H3/t14-,15+,16?/m0/s1
InChIKeyGZBPBCSPJFWMGZ-QMRHZFGWSA-N
XLogP4.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4aS,8aR)-6-(4-methylpent-3-enyl)-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-amine?
The IUPAC name of (4aS,8aR)-6-(4-methylpent-3-enyl)-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-amine (CID 59879318) is (4aS,8aR)-6-(4-methylpent-3-enyl)-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-amine.
What is the SMILES notation for (4aS,8aR)-6-(4-methylpent-3-enyl)-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-amine?
The canonical SMILES for (4aS,8aR)-6-(4-methylpent-3-enyl)-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-amine is CC(C)=CCCC1=CC[C@H]2C(N)CCC[C@H]2C1.
What is the InChIKey of (4aS,8aR)-6-(4-methylpent-3-enyl)-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-amine?
The InChIKey is GZBPBCSPJFWMGZ-QMRHZFGWSA-N. The full InChI is InChI=1S/C16H27N/c1-12(2)5-3-6-13-9-10-15-14(11-13)7-4-8-16(15)17/h5,9,14-16H,3-4,6-8,10-11,17H2,1-2H3/t14-,15+,16?/m0/s1.
What are the key properties of (4aS,8aR)-6-(4-methylpent-3-enyl)-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-amine?
(4aS,8aR)-6-(4-methylpent-3-enyl)-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-amine has a molecular weight of 233.40 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,8aR)-6-(4-methylpent-3-enyl)-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-amine is sourced from PubChem (CID 59879318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).