2-[(4aS,6S,6aS,10bS)-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromen-6-yl]-N,N,2-trimethylpropan-1-amine

C19H33NO — CID 11909373

IUPAC2-[(4aS,6S,6aS,10bS)-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromen-6-yl]-N,N,2-trimethylpropan-1-amine
SMILESCN(C)CC(C)(C)[C@H]1O[C@H]2CCCC[C@H]2C2=CCCC[C@@H]21
InChIInChI=1S/C19H33NO/c1-19(2,13-20(3)4)18-16-11-6-5-9-14(16)15-10-7-8-12-17(15)21-18/h9,15-18H,5-8,10-13H2,1-4H3/t15-,16-,17-,18-/m0/s1
InChIKeyHCPHZQAJVVJZLU-XSLAGTTESA-N
MW291.48 g/mol
LogP4.26
Rot. Bonds3

About 2-[(4aS,6S,6aS,10bS)-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromen-6-yl]-N,N,2-trimethylpropan-1-amine

2-[(4aS,6S,6aS,10bS)-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromen-6-yl]-N,N,2-trimethylpropan-1-amine (PubChem CID 11909373) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 2-[(4aS,6S,6aS,10bS)-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromen-6-yl]-N,N,2-trimethylpropan-1-amine.

Molecular Properties

Compound Name2-[(4aS,6S,6aS,10bS)-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromen-6-yl]-N,N,2-trimethylpropan-1-amine
PubChem CID11909373
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name2-[(4aS,6S,6aS,10bS)-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromen-6-yl]-N,N,2-trimethylpropan-1-amine
SMILESCN(C)CC(C)(C)[C@H]1O[C@H]2CCCC[C@H]2C2=CCCC[C@@H]21
InChIInChI=1S/C19H33NO/c1-19(2,13-20(3)4)18-16-11-6-5-9-14(16)15-10-7-8-12-17(15)21-18/h9,15-18H,5-8,10-13H2,1-4H3/t15-,16-,17-,18-/m0/s1
InChIKeyHCPHZQAJVVJZLU-XSLAGTTESA-N
XLogP4.26
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(4aS,6S,6aS,10bS)-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromen-6-yl]-N,N,2-trimethylpropan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(4aS,6S,6aS,10bS)-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromen-6-yl]-N,N,2-trimethylpropan-1-amine?
The IUPAC name of 2-[(4aS,6S,6aS,10bS)-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromen-6-yl]-N,N,2-trimethylpropan-1-amine (CID 11909373) is 2-[(4aS,6S,6aS,10bS)-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromen-6-yl]-N,N,2-trimethylpropan-1-amine.
What is the SMILES notation for 2-[(4aS,6S,6aS,10bS)-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromen-6-yl]-N,N,2-trimethylpropan-1-amine?
The canonical SMILES for 2-[(4aS,6S,6aS,10bS)-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromen-6-yl]-N,N,2-trimethylpropan-1-amine is CN(C)CC(C)(C)[C@H]1O[C@H]2CCCC[C@H]2C2=CCCC[C@@H]21.
What is the InChIKey of 2-[(4aS,6S,6aS,10bS)-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromen-6-yl]-N,N,2-trimethylpropan-1-amine?
The InChIKey is HCPHZQAJVVJZLU-XSLAGTTESA-N. The full InChI is InChI=1S/C19H33NO/c1-19(2,13-20(3)4)18-16-11-6-5-9-14(16)15-10-7-8-12-17(15)21-18/h9,15-18H,5-8,10-13H2,1-4H3/t15-,16-,17-,18-/m0/s1.
What are the key properties of 2-[(4aS,6S,6aS,10bS)-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromen-6-yl]-N,N,2-trimethylpropan-1-amine?
2-[(4aS,6S,6aS,10bS)-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromen-6-yl]-N,N,2-trimethylpropan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4aS,6S,6aS,10bS)-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromen-6-yl]-N,N,2-trimethylpropan-1-amine is sourced from PubChem (CID 11909373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).