[(10R,13R,14S)-10-methyl-4,5,6,7,11,12,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-13-yl]methanamine

C19H29N — CID 154458299

IUPAC[(10R,13R,14S)-10-methyl-4,5,6,7,11,12,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-13-yl]methanamine
SMILESC[C@]12C=CCCC1CCC1=C2CC[C@]2(CN)CCC[C@@H]12
InChIInChI=1S/C19H29N/c1-18-10-3-2-5-14(18)7-8-15-16(18)9-12-19(13-20)11-4-6-17(15)19/h3,10,14,17H,2,4-9,11-13,20H2,1H3/t14?,17-,18-,19-/m0/s1
InChIKeySCCVPEFIAKXNCX-CISDCURYSA-N
MW271.45 g/mol
LogP4.59
Rot. Bonds1

About [(10R,13R,14S)-10-methyl-4,5,6,7,11,12,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-13-yl]methanamine

[(10R,13R,14S)-10-methyl-4,5,6,7,11,12,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-13-yl]methanamine (PubChem CID 154458299) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is [(10R,13R,14S)-10-methyl-4,5,6,7,11,12,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-13-yl]methanamine.

Molecular Properties

Compound Name[(10R,13R,14S)-10-methyl-4,5,6,7,11,12,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-13-yl]methanamine
PubChem CID154458299
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC Name[(10R,13R,14S)-10-methyl-4,5,6,7,11,12,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-13-yl]methanamine
SMILESC[C@]12C=CCCC1CCC1=C2CC[C@]2(CN)CCC[C@@H]12
InChIInChI=1S/C19H29N/c1-18-10-3-2-5-14(18)7-8-15-16(18)9-12-19(13-20)11-4-6-17(15)19/h3,10,14,17H,2,4-9,11-13,20H2,1H3/t14?,17-,18-,19-/m0/s1
InChIKeySCCVPEFIAKXNCX-CISDCURYSA-N
XLogP4.59
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 54.59
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 [(10R,13R,14S)-10-methyl-4,5,6,7,11,12,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-13-yl]methanamine?
The IUPAC name of [(10R,13R,14S)-10-methyl-4,5,6,7,11,12,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-13-yl]methanamine (CID 154458299) is [(10R,13R,14S)-10-methyl-4,5,6,7,11,12,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-13-yl]methanamine.
What is the SMILES notation for [(10R,13R,14S)-10-methyl-4,5,6,7,11,12,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-13-yl]methanamine?
The canonical SMILES for [(10R,13R,14S)-10-methyl-4,5,6,7,11,12,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-13-yl]methanamine is C[C@]12C=CCCC1CCC1=C2CC[C@]2(CN)CCC[C@@H]12.
What is the InChIKey of [(10R,13R,14S)-10-methyl-4,5,6,7,11,12,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-13-yl]methanamine?
The InChIKey is SCCVPEFIAKXNCX-CISDCURYSA-N. The full InChI is InChI=1S/C19H29N/c1-18-10-3-2-5-14(18)7-8-15-16(18)9-12-19(13-20)11-4-6-17(15)19/h3,10,14,17H,2,4-9,11-13,20H2,1H3/t14?,17-,18-,19-/m0/s1.
What are the key properties of [(10R,13R,14S)-10-methyl-4,5,6,7,11,12,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-13-yl]methanamine?
[(10R,13R,14S)-10-methyl-4,5,6,7,11,12,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-13-yl]methanamine has a molecular weight of 271.45 g/mol, XLogP of 4.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(10R,13R,14S)-10-methyl-4,5,6,7,11,12,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-13-yl]methanamine is sourced from PubChem (CID 154458299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).