10,13-dimethyl-17-pent-4-enyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;N-methylmethanamine

C26H47N — CID 145429426

IUPAC10,13-dimethyl-17-pent-4-enyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;N-methylmethanamine
SMILESC=CCCCC1CCC2C3CCC4CCCCC4(C)C3CCC12C.CNC
InChIInChI=1S/C24H40.C2H7N/c1-4-5-6-9-19-12-14-21-20-13-11-18-10-7-8-16-23(18,2)22(20)15-17-24(19,21)3;1-3-2/h4,18-22H,1,5-17H2,2-3H3;3H,1-2H3
InChIKeyUHSLFMXFNOTXAG-UHFFFAOYSA-N
MW373.67 g/mol
LogP7.23
Rot. Bonds4

About 10,13-dimethyl-17-pent-4-enyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;N-methylmethanamine

10,13-dimethyl-17-pent-4-enyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;N-methylmethanamine (PubChem CID 145429426) has the molecular formula C26H47N and a molecular weight of 373.67 g/mol. Its IUPAC name is 10,13-dimethyl-17-pent-4-enyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;N-methylmethanamine.

Molecular Properties

Compound Name10,13-dimethyl-17-pent-4-enyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;N-methylmethanamine
PubChem CID145429426
Molecular FormulaC26H47N
Molecular Weight373.67 g/mol
Exact Mass373.37
IUPAC Name10,13-dimethyl-17-pent-4-enyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;N-methylmethanamine
SMILESC=CCCCC1CCC2C3CCC4CCCCC4(C)C3CCC12C.CNC
InChIInChI=1S/C24H40.C2H7N/c1-4-5-6-9-19-12-14-21-20-13-11-18-10-7-8-16-23(18,2)22(20)15-17-24(19,21)3;1-3-2/h4,18-22H,1,5-17H2,2-3H3;3H,1-2H3
InChIKeyUHSLFMXFNOTXAG-UHFFFAOYSA-N
XLogP7.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.67
LogP ≤ 57.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 10,13-dimethyl-17-pent-4-enyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;N-methylmethanamine with MolForge

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Related Compounds

4-(10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)butanal;methanol
CID 177226509
(10S,13R,17S)-17-butyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 145261158
4-(10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)butanal;ethane;methanol;molecular hydrogen
CID 166075966
acetylene;10,13-dimethyl-17-(5-methylhex-4-enyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;ethane
CID 145429441
(5R,8S,9S,10S,13R,14S,17S)-10,13-dimethyl-17-propyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 154119295
(10S,17S)-10,13-dimethyl-17-propyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 145022140
(E)-N-(aminomethyl)-6-(10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)hex-2-enamide
CID 142559611
butane;10,13-dimethyl-17-(4-methylpentyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 145429430
10,13-dimethyl-17-(4-methyl-4-propylhept-6-enyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 155719875
(5S,8S,9S,10S,13R,14S,17S)-17-(2-bromoethyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 140981764
(8S,9S,10S,13R,14S,17R)-17-(2-iodoethyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 54200589
but-1-ene;10,13-dimethyl-17-[(E)-5-phenylpent-4-enyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;methanol
CID 145429445

Frequently Asked Questions

What is the IUPAC name of 10,13-dimethyl-17-pent-4-enyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;N-methylmethanamine?
The IUPAC name of 10,13-dimethyl-17-pent-4-enyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;N-methylmethanamine (CID 145429426) is 10,13-dimethyl-17-pent-4-enyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;N-methylmethanamine.
What is the SMILES notation for 10,13-dimethyl-17-pent-4-enyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;N-methylmethanamine?
The canonical SMILES for 10,13-dimethyl-17-pent-4-enyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;N-methylmethanamine is C=CCCCC1CCC2C3CCC4CCCCC4(C)C3CCC12C.CNC.
What is the InChIKey of 10,13-dimethyl-17-pent-4-enyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;N-methylmethanamine?
The InChIKey is UHSLFMXFNOTXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40.C2H7N/c1-4-5-6-9-19-12-14-21-20-13-11-18-10-7-8-16-23(18,2)22(20)15-17-24(19,21)3;1-3-2/h4,18-22H,1,5-17H2,2-3H3;3H,1-2H3.
What are the key properties of 10,13-dimethyl-17-pent-4-enyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;N-methylmethanamine?
10,13-dimethyl-17-pent-4-enyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;N-methylmethanamine has a molecular weight of 373.67 g/mol, XLogP of 7.23, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10,13-dimethyl-17-pent-4-enyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;N-methylmethanamine is sourced from PubChem (CID 145429426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).