(6S,7S)-7-(3-aminopropylamino)-6-methoxy-8,8-dimethyl-6,7-dihydro-5H-naphthalene-2-carboxamide

C17H27N3O2 — CID 66905027

IUPAC(6S,7S)-7-(3-aminopropylamino)-6-methoxy-8,8-dimethyl-6,7-dihydro-5H-naphthalene-2-carboxamide
SMILESCO[C@H]1Cc2ccc(C(N)=O)cc2C(C)(C)C1NCCCN
InChIInChI=1S/C17H27N3O2/c1-17(2)13-9-12(16(19)21)6-5-11(13)10-14(22-3)15(17)20-8-4-7-18/h5-6,9,14-15,20H,4,7-8,10,18H2,1-3H3,(H2,19,21)/t14-,15?/m0/s1
InChIKeyHYBVJRJBKPZUHV-MLCCFXAWSA-N
MW305.42 g/mol
LogP0.94
Rot. Bonds6

About (6S,7S)-7-(3-aminopropylamino)-6-methoxy-8,8-dimethyl-6,7-dihydro-5H-naphthalene-2-carboxamide

(6S,7S)-7-(3-aminopropylamino)-6-methoxy-8,8-dimethyl-6,7-dihydro-5H-naphthalene-2-carboxamide (PubChem CID 66905027) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is (6S,7S)-7-(3-aminopropylamino)-6-methoxy-8,8-dimethyl-6,7-dihydro-5H-naphthalene-2-carboxamide.

Molecular Properties

Compound Name(6S,7S)-7-(3-aminopropylamino)-6-methoxy-8,8-dimethyl-6,7-dihydro-5H-naphthalene-2-carboxamide
PubChem CID66905027
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name(6S,7S)-7-(3-aminopropylamino)-6-methoxy-8,8-dimethyl-6,7-dihydro-5H-naphthalene-2-carboxamide
SMILESCO[C@H]1Cc2ccc(C(N)=O)cc2C(C)(C)C1NCCCN
InChIInChI=1S/C17H27N3O2/c1-17(2)13-9-12(16(19)21)6-5-11(13)10-14(22-3)15(17)20-8-4-7-18/h5-6,9,14-15,20H,4,7-8,10,18H2,1-3H3,(H2,19,21)/t14-,15?/m0/s1
InChIKeyHYBVJRJBKPZUHV-MLCCFXAWSA-N
XLogP0.94
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (6S,7S)-7-(3-aminopropylamino)-6-methoxy-8,8-dimethyl-6,7-dihydro-5H-naphthalene-2-carboxamide 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 (6S,7S)-7-(3-aminopropylamino)-6-methoxy-8,8-dimethyl-6,7-dihydro-5H-naphthalene-2-carboxamide?
The IUPAC name of (6S,7S)-7-(3-aminopropylamino)-6-methoxy-8,8-dimethyl-6,7-dihydro-5H-naphthalene-2-carboxamide (CID 66905027) is (6S,7S)-7-(3-aminopropylamino)-6-methoxy-8,8-dimethyl-6,7-dihydro-5H-naphthalene-2-carboxamide.
What is the SMILES notation for (6S,7S)-7-(3-aminopropylamino)-6-methoxy-8,8-dimethyl-6,7-dihydro-5H-naphthalene-2-carboxamide?
The canonical SMILES for (6S,7S)-7-(3-aminopropylamino)-6-methoxy-8,8-dimethyl-6,7-dihydro-5H-naphthalene-2-carboxamide is CO[C@H]1Cc2ccc(C(N)=O)cc2C(C)(C)C1NCCCN.
What is the InChIKey of (6S,7S)-7-(3-aminopropylamino)-6-methoxy-8,8-dimethyl-6,7-dihydro-5H-naphthalene-2-carboxamide?
The InChIKey is HYBVJRJBKPZUHV-MLCCFXAWSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-17(2)13-9-12(16(19)21)6-5-11(13)10-14(22-3)15(17)20-8-4-7-18/h5-6,9,14-15,20H,4,7-8,10,18H2,1-3H3,(H2,19,21)/t14-,15?/m0/s1.
What are the key properties of (6S,7S)-7-(3-aminopropylamino)-6-methoxy-8,8-dimethyl-6,7-dihydro-5H-naphthalene-2-carboxamide?
(6S,7S)-7-(3-aminopropylamino)-6-methoxy-8,8-dimethyl-6,7-dihydro-5H-naphthalene-2-carboxamide has a molecular weight of 305.42 g/mol, XLogP of 0.94, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7S)-7-(3-aminopropylamino)-6-methoxy-8,8-dimethyl-6,7-dihydro-5H-naphthalene-2-carboxamide is sourced from PubChem (CID 66905027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).