N-octyl-1-propan-2-ylazepan-4-amine

C17H36N2 — CID 115566933

IUPACN-octyl-1-propan-2-ylazepan-4-amine
SMILESCCCCCCCCNC1CCCN(C(C)C)CC1
InChIInChI=1S/C17H36N2/c1-4-5-6-7-8-9-13-18-17-11-10-14-19(15-12-17)16(2)3/h16-18H,4-15H2,1-3H3
InChIKeyPFQKJRYHAKKWDU-UHFFFAOYSA-N
MW268.49 g/mol
LogP4.20
Rot. Bonds9

About N-octyl-1-propan-2-ylazepan-4-amine

N-octyl-1-propan-2-ylazepan-4-amine (PubChem CID 115566933) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is N-octyl-1-propan-2-ylazepan-4-amine.

Molecular Properties

Compound NameN-octyl-1-propan-2-ylazepan-4-amine
PubChem CID115566933
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC NameN-octyl-1-propan-2-ylazepan-4-amine
SMILESCCCCCCCCNC1CCCN(C(C)C)CC1
InChIInChI=1S/C17H36N2/c1-4-5-6-7-8-9-13-18-17-11-10-14-19(15-12-17)16(2)3/h16-18H,4-15H2,1-3H3
InChIKeyPFQKJRYHAKKWDU-UHFFFAOYSA-N
XLogP4.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-octyl-1-propan-2-ylazepan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1-propan-2-ylazepan-4-yl)amino]ethanol
CID 65074438
4-[(1-propan-2-ylpiperidin-4-yl)amino]butan-1-ol
CID 106840759
N-dodecylcyclohexanamine
CID 3679395
N-(4-methylpentyl)-1-propan-2-ylpiperidin-4-amine
CID 61043784
N'-(1-propan-2-ylpiperidin-4-yl)propane-1,3-diamine
CID 60889308
2-methyl-N-[2-[(1-propan-2-ylazepan-4-yl)amino]ethyl]propanamide
CID 65072399
N-(4-imidazol-1-ylbutyl)-1-propan-2-ylazepan-4-amine
CID 65073591
N-(3-methoxypropyl)-1-propan-2-ylpiperidin-4-amine
CID 28673243
N-(3-methylsulfanylpropyl)-1-propan-2-ylpiperidin-4-amine
CID 28717328
N-(3-methylhexyl)-1-propan-2-ylpiperidin-4-amine
CID 139366254
N-ethyl-1-propan-2-ylpiperidin-4-amine
CID 24692919
1-cyclopropyl-N-heptylpiperidin-4-amine
CID 43747044

Frequently Asked Questions

What is the IUPAC name of N-octyl-1-propan-2-ylazepan-4-amine?
The IUPAC name of N-octyl-1-propan-2-ylazepan-4-amine (CID 115566933) is N-octyl-1-propan-2-ylazepan-4-amine.
What is the SMILES notation for N-octyl-1-propan-2-ylazepan-4-amine?
The canonical SMILES for N-octyl-1-propan-2-ylazepan-4-amine is CCCCCCCCNC1CCCN(C(C)C)CC1.
What is the InChIKey of N-octyl-1-propan-2-ylazepan-4-amine?
The InChIKey is PFQKJRYHAKKWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-4-5-6-7-8-9-13-18-17-11-10-14-19(15-12-17)16(2)3/h16-18H,4-15H2,1-3H3.
What are the key properties of N-octyl-1-propan-2-ylazepan-4-amine?
N-octyl-1-propan-2-ylazepan-4-amine has a molecular weight of 268.49 g/mol, XLogP of 4.20, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-octyl-1-propan-2-ylazepan-4-amine is sourced from PubChem (CID 115566933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).