8-cyclopropyl-9-octylnonadecan-8-amine

C30H61N — CID 118341467

IUPAC8-cyclopropyl-9-octylnonadecan-8-amine
SMILESCCCCCCCCCCC(CCCCCCCC)C(N)(CCCCCCC)C1CC1
InChIInChI=1S/C30H61N/c1-4-7-10-13-15-16-18-21-24-28(23-20-17-14-11-8-5-2)30(31,29-25-26-29)27-22-19-12-9-6-3/h28-29H,4-27,31H2,1-3H3
InChIKeyAWPBPLYJUJUALZ-UHFFFAOYSA-N
MW435.83 g/mol
LogP10.35
Rot. Bonds24

About 8-cyclopropyl-9-octylnonadecan-8-amine

8-cyclopropyl-9-octylnonadecan-8-amine (PubChem CID 118341467) has the molecular formula C30H61N and a molecular weight of 435.83 g/mol. Its IUPAC name is 8-cyclopropyl-9-octylnonadecan-8-amine.

Molecular Properties

Compound Name8-cyclopropyl-9-octylnonadecan-8-amine
PubChem CID118341467
Molecular FormulaC30H61N
Molecular Weight435.83 g/mol
Exact Mass435.48
IUPAC Name8-cyclopropyl-9-octylnonadecan-8-amine
SMILESCCCCCCCCCCC(CCCCCCCC)C(N)(CCCCCCC)C1CC1
InChIInChI=1S/C30H61N/c1-4-7-10-13-15-16-18-21-24-28(23-20-17-14-11-8-5-2)30(31,29-25-26-29)27-22-19-12-9-6-3/h28-29H,4-27,31H2,1-3H3
InChIKeyAWPBPLYJUJUALZ-UHFFFAOYSA-N
XLogP10.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds24
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.83
LogP ≤ 510.35
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

8,9-diheptylhenicosan-8-amine
CID 87777524
9-octyl-10-pentyloctadecan-9-amine
CID 87446758
8,9-diheptylhenicosan-8-amine;hydrochloride
CID 173157865
8,9-diheptyltricosan-8-amine;hydrobromide
CID 173158343
7,8-dihexylicosan-7-amine;hydrobromide
CID 173041411
7,8-dihexylheptadecan-7-amine;hydrobromide
CID 173157793
8-heptyl-9-propylhexadecan-8-amine;hydroiodide
CID 173157540
(2-butyl-1,1-difluorooctyl)cyclopropane
CID 170133403
5,6-dibutyldocosan-5-amine;hydrobromide
CID 173159826
5,6-dibutylicosan-5-amine;hydroiodide
CID 173158305
5,6-dibutylhexadecan-5-amine;hydroiodide
CID 173158056
5-butyl-6-propylheptadecan-5-amine
CID 22597070

Frequently Asked Questions

What is the IUPAC name of 8-cyclopropyl-9-octylnonadecan-8-amine?
The IUPAC name of 8-cyclopropyl-9-octylnonadecan-8-amine (CID 118341467) is 8-cyclopropyl-9-octylnonadecan-8-amine.
What is the SMILES notation for 8-cyclopropyl-9-octylnonadecan-8-amine?
The canonical SMILES for 8-cyclopropyl-9-octylnonadecan-8-amine is CCCCCCCCCCC(CCCCCCCC)C(N)(CCCCCCC)C1CC1.
What is the InChIKey of 8-cyclopropyl-9-octylnonadecan-8-amine?
The InChIKey is AWPBPLYJUJUALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H61N/c1-4-7-10-13-15-16-18-21-24-28(23-20-17-14-11-8-5-2)30(31,29-25-26-29)27-22-19-12-9-6-3/h28-29H,4-27,31H2,1-3H3.
What are the key properties of 8-cyclopropyl-9-octylnonadecan-8-amine?
8-cyclopropyl-9-octylnonadecan-8-amine has a molecular weight of 435.83 g/mol, XLogP of 10.35, 24 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropyl-9-octylnonadecan-8-amine is sourced from PubChem (CID 118341467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).