ethane;(2E)-N,3,7-trimethyl-N-[1-(1,2,2,3-tetramethylcyclopentyl)propyl]octa-2,6-dien-1-amine

C25H49N — CID 142536328

IUPACethane;(2E)-N,3,7-trimethyl-N-[1-(1,2,2,3-tetramethylcyclopentyl)propyl]octa-2,6-dien-1-amine
SMILESCC.CCC(N(C)C/C=C(\C)CCC=C(C)C)C1(C)CCC(C)C1(C)C
InChIInChI=1S/C23H43N.C2H6/c1-10-21(23(8)16-14-20(5)22(23,6)7)24(9)17-15-19(4)13-11-12-18(2)3;1-2/h12,15,20-21H,10-11,13-14,16-17H2,1-9H3;1-2H3/b19-15+;
InChIKeyNHMBWTCKDGIXSP-QTCZRQAZSA-N
MW363.67 g/mol
LogP7.88
Rot. Bonds8

About ethane;(2E)-N,3,7-trimethyl-N-[1-(1,2,2,3-tetramethylcyclopentyl)propyl]octa-2,6-dien-1-amine

ethane;(2E)-N,3,7-trimethyl-N-[1-(1,2,2,3-tetramethylcyclopentyl)propyl]octa-2,6-dien-1-amine (PubChem CID 142536328) has the molecular formula C25H49N and a molecular weight of 363.67 g/mol. Its IUPAC name is ethane;(2E)-N,3,7-trimethyl-N-[1-(1,2,2,3-tetramethylcyclopentyl)propyl]octa-2,6-dien-1-amine.

Molecular Properties

Compound Nameethane;(2E)-N,3,7-trimethyl-N-[1-(1,2,2,3-tetramethylcyclopentyl)propyl]octa-2,6-dien-1-amine
PubChem CID142536328
Molecular FormulaC25H49N
Molecular Weight363.67 g/mol
Exact Mass363.39
IUPAC Nameethane;(2E)-N,3,7-trimethyl-N-[1-(1,2,2,3-tetramethylcyclopentyl)propyl]octa-2,6-dien-1-amine
SMILESCC.CCC(N(C)C/C=C(\C)CCC=C(C)C)C1(C)CCC(C)C1(C)C
InChIInChI=1S/C23H43N.C2H6/c1-10-21(23(8)16-14-20(5)22(23,6)7)24(9)17-15-19(4)13-11-12-18(2)3;1-2/h12,15,20-21H,10-11,13-14,16-17H2,1-9H3;1-2H3/b19-15+;
InChIKeyNHMBWTCKDGIXSP-QTCZRQAZSA-N
XLogP7.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.67
LogP ≤ 57.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethane;(2E)-N,3,7-trimethyl-N-[1-(1,2,2,3-tetramethylcyclopentyl)propyl]octa-2,6-dien-1-amine 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 ethane;(2E)-N,3,7-trimethyl-N-[1-(1,2,2,3-tetramethylcyclopentyl)propyl]octa-2,6-dien-1-amine?
The IUPAC name of ethane;(2E)-N,3,7-trimethyl-N-[1-(1,2,2,3-tetramethylcyclopentyl)propyl]octa-2,6-dien-1-amine (CID 142536328) is ethane;(2E)-N,3,7-trimethyl-N-[1-(1,2,2,3-tetramethylcyclopentyl)propyl]octa-2,6-dien-1-amine.
What is the SMILES notation for ethane;(2E)-N,3,7-trimethyl-N-[1-(1,2,2,3-tetramethylcyclopentyl)propyl]octa-2,6-dien-1-amine?
The canonical SMILES for ethane;(2E)-N,3,7-trimethyl-N-[1-(1,2,2,3-tetramethylcyclopentyl)propyl]octa-2,6-dien-1-amine is CC.CCC(N(C)C/C=C(\C)CCC=C(C)C)C1(C)CCC(C)C1(C)C.
What is the InChIKey of ethane;(2E)-N,3,7-trimethyl-N-[1-(1,2,2,3-tetramethylcyclopentyl)propyl]octa-2,6-dien-1-amine?
The InChIKey is NHMBWTCKDGIXSP-QTCZRQAZSA-N. The full InChI is InChI=1S/C23H43N.C2H6/c1-10-21(23(8)16-14-20(5)22(23,6)7)24(9)17-15-19(4)13-11-12-18(2)3;1-2/h12,15,20-21H,10-11,13-14,16-17H2,1-9H3;1-2H3/b19-15+;.
What are the key properties of ethane;(2E)-N,3,7-trimethyl-N-[1-(1,2,2,3-tetramethylcyclopentyl)propyl]octa-2,6-dien-1-amine?
ethane;(2E)-N,3,7-trimethyl-N-[1-(1,2,2,3-tetramethylcyclopentyl)propyl]octa-2,6-dien-1-amine has a molecular weight of 363.67 g/mol, XLogP of 7.88, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E)-N,3,7-trimethyl-N-[1-(1,2,2,3-tetramethylcyclopentyl)propyl]octa-2,6-dien-1-amine is sourced from PubChem (CID 142536328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).