8-(4-heptyl-2,5-dioctylcyclohexyl)octan-1-amine

C37H75N — CID 174176703

IUPAC8-(4-heptyl-2,5-dioctylcyclohexyl)octan-1-amine
SMILESCCCCCCCCC1CC(CCCCCCCCN)C(CCCCCCCC)CC1CCCCCCC
InChIInChI=1S/C37H75N/c1-4-7-10-13-18-23-28-35-33-37(30-25-20-15-16-21-26-31-38)36(29-24-19-14-11-8-5-2)32-34(35)27-22-17-12-9-6-3/h34-37H,4-33,38H2,1-3H3
InChIKeyRAHVCIBSTBNFER-UHFFFAOYSA-N
MW534.01 g/mol
LogP12.80
Rot. Bonds28

About 8-(4-heptyl-2,5-dioctylcyclohexyl)octan-1-amine

8-(4-heptyl-2,5-dioctylcyclohexyl)octan-1-amine (PubChem CID 174176703) has the molecular formula C37H75N and a molecular weight of 534.01 g/mol. Its IUPAC name is 8-(4-heptyl-2,5-dioctylcyclohexyl)octan-1-amine.

Molecular Properties

Compound Name8-(4-heptyl-2,5-dioctylcyclohexyl)octan-1-amine
PubChem CID174176703
Molecular FormulaC37H75N
Molecular Weight534.01 g/mol
Exact Mass533.59
IUPAC Name8-(4-heptyl-2,5-dioctylcyclohexyl)octan-1-amine
SMILESCCCCCCCCC1CC(CCCCCCCCN)C(CCCCCCCC)CC1CCCCCCC
InChIInChI=1S/C37H75N/c1-4-7-10-13-18-23-28-35-33-37(30-25-20-15-16-21-26-31-38)36(29-24-19-14-11-8-5-2)32-34(35)27-22-17-12-9-6-3/h34-37H,4-33,38H2,1-3H3
InChIKeyRAHVCIBSTBNFER-UHFFFAOYSA-N
XLogP12.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds28
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.01
LogP ≤ 512.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-hexyl-2-undecylcyclopropane
CID 58049498
5-[2-(5-aminopentyl)cyclopropyl]pentan-1-amine
CID 58260208
1,2-dioctylcyclopropane
CID 21337627
1-propyl-2-undecylcyclopropane
CID 123636027
1-butyl-2-[8-(2-butylcyclopropyl)octyl]cyclopropane
CID 23590146
trans-(1S,2S)-1-butyl-2-pentylcyclopropane
CID 91692463
8-[2-(8-aminooctyl)-3,4-dioctylcyclohexyl]octan-1-amine
CID 156680959
1-methyl-2-[6-(2-tetradecylcyclopropyl)hexyl]cyclopropane
CID 123959869
2-[(1S,2S)-2-hexylcyclopropyl]ethanol
CID 71388478
[(1S,2S)-2-octylcyclopropyl]methanol
CID 121360287
5-[(1R,2S)-2-decylcyclopropyl]pentan-1-ol
CID 10923562
butane-1,4-diamine;hexan-1-amine
CID 162097736

Frequently Asked Questions

What is the IUPAC name of 8-(4-heptyl-2,5-dioctylcyclohexyl)octan-1-amine?
The IUPAC name of 8-(4-heptyl-2,5-dioctylcyclohexyl)octan-1-amine (CID 174176703) is 8-(4-heptyl-2,5-dioctylcyclohexyl)octan-1-amine.
What is the SMILES notation for 8-(4-heptyl-2,5-dioctylcyclohexyl)octan-1-amine?
The canonical SMILES for 8-(4-heptyl-2,5-dioctylcyclohexyl)octan-1-amine is CCCCCCCCC1CC(CCCCCCCCN)C(CCCCCCCC)CC1CCCCCCC.
What is the InChIKey of 8-(4-heptyl-2,5-dioctylcyclohexyl)octan-1-amine?
The InChIKey is RAHVCIBSTBNFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H75N/c1-4-7-10-13-18-23-28-35-33-37(30-25-20-15-16-21-26-31-38)36(29-24-19-14-11-8-5-2)32-34(35)27-22-17-12-9-6-3/h34-37H,4-33,38H2,1-3H3.
What are the key properties of 8-(4-heptyl-2,5-dioctylcyclohexyl)octan-1-amine?
8-(4-heptyl-2,5-dioctylcyclohexyl)octan-1-amine has a molecular weight of 534.01 g/mol, XLogP of 12.80, 28 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-heptyl-2,5-dioctylcyclohexyl)octan-1-amine is sourced from PubChem (CID 174176703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).