N-[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-8H-purin-6-yl]hydroxylamine

C26H41N5O — CID 163131689

IUPACN-[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-8H-purin-6-yl]hydroxylamine
SMILESC=C1CCC2C(C)(C)CCCC2(C)C1CCC(C)=CCN1CN(C)c2ncnc(NO)c21
InChIInChI=1S/C26H41N5O/c1-18(12-15-31-17-30(6)24-22(31)23(29-32)27-16-28-24)8-10-20-19(2)9-11-21-25(3,4)13-7-14-26(20,21)5/h12,16,20-21,32H,2,7-11,13-15,17H2,1,3-6H3,(H,27,28,29)
InChIKeyGJMQQXVKCGNERK-UHFFFAOYSA-N
MW439.65 g/mol
LogP6.02
Rot. Bonds6

About N-[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-8H-purin-6-yl]hydroxylamine

N-[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-8H-purin-6-yl]hydroxylamine (PubChem CID 163131689) has the molecular formula C26H41N5O and a molecular weight of 439.65 g/mol. Its IUPAC name is N-[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-8H-purin-6-yl]hydroxylamine.

Molecular Properties

Compound NameN-[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-8H-purin-6-yl]hydroxylamine
PubChem CID163131689
Molecular FormulaC26H41N5O
Molecular Weight439.65 g/mol
Exact Mass439.33
IUPAC NameN-[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-8H-purin-6-yl]hydroxylamine
SMILESC=C1CCC2C(C)(C)CCCC2(C)C1CCC(C)=CCN1CN(C)c2ncnc(NO)c21
InChIInChI=1S/C26H41N5O/c1-18(12-15-31-17-30(6)24-22(31)23(29-32)27-16-28-24)8-10-20-19(2)9-11-21-25(3,4)13-7-14-26(20,21)5/h12,16,20-21,32H,2,7-11,13-15,17H2,1,3-6H3,(H,27,28,29)
InChIKeyGJMQQXVKCGNERK-UHFFFAOYSA-N
XLogP6.02
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.65
LogP ≤ 56.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[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-8H-purin-6-yl]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[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-8H-purin-6-yl]hydroxylamine?
The IUPAC name of N-[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-8H-purin-6-yl]hydroxylamine (CID 163131689) is N-[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-8H-purin-6-yl]hydroxylamine.
What is the SMILES notation for N-[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-8H-purin-6-yl]hydroxylamine?
The canonical SMILES for N-[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-8H-purin-6-yl]hydroxylamine is C=C1CCC2C(C)(C)CCCC2(C)C1CCC(C)=CCN1CN(C)c2ncnc(NO)c21.
What is the InChIKey of N-[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-8H-purin-6-yl]hydroxylamine?
The InChIKey is GJMQQXVKCGNERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41N5O/c1-18(12-15-31-17-30(6)24-22(31)23(29-32)27-16-28-24)8-10-20-19(2)9-11-21-25(3,4)13-7-14-26(20,21)5/h12,16,20-21,32H,2,7-11,13-15,17H2,1,3-6H3,(H,27,28,29).
What are the key properties of N-[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-8H-purin-6-yl]hydroxylamine?
N-[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-8H-purin-6-yl]hydroxylamine has a molecular weight of 439.65 g/mol, XLogP of 6.02, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[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-8H-purin-6-yl]hydroxylamine is sourced from PubChem (CID 163131689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).