N,N-dimethylethanamine;2-methylbutane;3,10,13-trimethyl-17-propan-2-yl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene

C32H61N — CID 145486660

About N,N-dimethylethanamine;2-methylbutane;3,10,13-trimethyl-17-propan-2-yl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene

N,N-dimethylethanamine;2-methylbutane;3,10,13-trimethyl-17-propan-2-yl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene (PubChem CID 145486660) has the molecular formula C32H61N and a molecular weight of 459.85 g/mol. Its IUPAC name is N,N-dimethylethanamine;2-methylbutane;3,10,13-trimethyl-17-propan-2-yl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene.

Molecular Properties

• Compound Name: N,N-dimethylethanamine;2-methylbutane;3,10,13-trimethyl-17-propan-2-yl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
• PubChem CID: 145486660
• Molecular Formula: C32H61N
• Molecular Weight: 459.85 g/mol
• Exact Mass: 459.48
• IUPAC Name: N,N-dimethylethanamine;2-methylbutane;3,10,13-trimethyl-17-propan-2-yl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
• SMILES: CC1CCC2(C)C(=CCC3C2CCC2(C)C(C(C)C)CCC32)C1.CCC(C)C.CCN(C)C
• InChI: InChI=1S/C23H38.C5H12.C4H11N/c1-15(2)19-8-9-20-18-7-6-17-14-16(3)10-12-22(17,4)21(18)11-13-23(19,20)5;2*1-4-5(2)3/h6,15-16,18-21H,7-14H2,1-5H3;5H,4H2,1-3H3;4H2,1-3H3
• InChIKey: WTRFADWIZFLTAB-UHFFFAOYSA-N
• XLogP: 9.48
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	459.85
LogP ≤ 5	9.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylethanamine;2-methylbutane;3,10,13-trimethyl-17-propan-2-yl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene?

The IUPAC name of N,N-dimethylethanamine;2-methylbutane;3,10,13-trimethyl-17-propan-2-yl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene (CID 145486660) is N,N-dimethylethanamine;2-methylbutane;3,10,13-trimethyl-17-propan-2-yl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene.

What is the SMILES notation for N,N-dimethylethanamine;2-methylbutane;3,10,13-trimethyl-17-propan-2-yl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene?

The canonical SMILES for N,N-dimethylethanamine;2-methylbutane;3,10,13-trimethyl-17-propan-2-yl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene is CC1CCC2(C)C(=CCC3C2CCC2(C)C(C(C)C)CCC32)C1.CCC(C)C.CCN(C)C.

What is the InChIKey of N,N-dimethylethanamine;2-methylbutane;3,10,13-trimethyl-17-propan-2-yl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene?

The InChIKey is WTRFADWIZFLTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38.C5H12.C4H11N/c1-15(2)19-8-9-20-18-7-6-17-14-16(3)10-12-22(17,4)21(18)11-13-23(19,20)5;2*1-4-5(2)3/h6,15-16,18-21H,7-14H2,1-5H3;5H,4H2,1-3H3;4H2,1-3H3.

What are the key properties of N,N-dimethylethanamine;2-methylbutane;3,10,13-trimethyl-17-propan-2-yl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene?

N,N-dimethylethanamine;2-methylbutane;3,10,13-trimethyl-17-propan-2-yl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene has a molecular weight of 459.85 g/mol, XLogP of 9.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethylethanamine;2-methylbutane;3,10,13-trimethyl-17-propan-2-yl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene is sourced from PubChem (CID 145486660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).