N-(4-methylpentyl)-N-octyloctan-1-amine

C22H47N — CID 139723154

IUPACN-(4-methylpentyl)-N-octyloctan-1-amine
SMILESCCCCCCCCN(CCCCCCCC)CCCC(C)C
InChIInChI=1S/C22H47N/c1-5-7-9-11-13-15-19-23(21-17-18-22(3)4)20-16-14-12-10-8-6-2/h22H,5-21H2,1-4H3
InChIKeyHSQYVXNSWZRFLR-UHFFFAOYSA-N
MW325.63 g/mol
LogP7.45
Rot. Bonds18

About N-(4-methylpentyl)-N-octyloctan-1-amine

N-(4-methylpentyl)-N-octyloctan-1-amine (PubChem CID 139723154) has the molecular formula C22H47N and a molecular weight of 325.63 g/mol. Its IUPAC name is N-(4-methylpentyl)-N-octyloctan-1-amine.

Molecular Properties

Compound NameN-(4-methylpentyl)-N-octyloctan-1-amine
PubChem CID139723154
Molecular FormulaC22H47N
Molecular Weight325.63 g/mol
Exact Mass325.37
IUPAC NameN-(4-methylpentyl)-N-octyloctan-1-amine
SMILESCCCCCCCCN(CCCCCCCC)CCCC(C)C
InChIInChI=1S/C22H47N/c1-5-7-9-11-13-15-19-23(21-17-18-22(3)4)20-16-14-12-10-8-6-2/h22H,5-21H2,1-4H3
InChIKeyHSQYVXNSWZRFLR-UHFFFAOYSA-N
XLogP7.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.63
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(4-methylpentyl)-N-octyloctan-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

Related Compounds

N,N-bis(4-methylpentyl)nonan-1-amine
CID 139723744
N,N-bis(4-methylpentyl)octadecan-1-amine
CID 139723718
4-methyl-N-(4-methylpentyl)-N-pentylpentan-1-amine
CID 139723855
N,N-bis(12-methyltridecyl)heptadecan-1-amine
CID 139722647
N-heptyl-7-methyl-N-(7-methyloctyl)octan-1-amine
CID 139723142
N-hexadecyl-N-(8-methylnonyl)hexadecan-1-amine
CID 139723889
11-methyl-N-(11-methyldodecyl)-N-pentyldodecan-1-amine
CID 139722518
15-methyl-N,N-di(pentadecyl)hexadecan-1-amine
CID 139722859
N-(9-methyldecyl)-N-octadecyloctadecan-1-amine
CID 139722861
N,N-didodecyl-16-methylheptadecan-1-amine
CID 139723359
N-(12-methyltridecyl)-N-octadecyloctadecan-1-amine
CID 139723792
N-decyl-12-methyl-N-(12-methyltridecyl)tridecan-1-amine
CID 139723116

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpentyl)-N-octyloctan-1-amine?
The IUPAC name of N-(4-methylpentyl)-N-octyloctan-1-amine (CID 139723154) is N-(4-methylpentyl)-N-octyloctan-1-amine.
What is the SMILES notation for N-(4-methylpentyl)-N-octyloctan-1-amine?
The canonical SMILES for N-(4-methylpentyl)-N-octyloctan-1-amine is CCCCCCCCN(CCCCCCCC)CCCC(C)C.
What is the InChIKey of N-(4-methylpentyl)-N-octyloctan-1-amine?
The InChIKey is HSQYVXNSWZRFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H47N/c1-5-7-9-11-13-15-19-23(21-17-18-22(3)4)20-16-14-12-10-8-6-2/h22H,5-21H2,1-4H3.
What are the key properties of N-(4-methylpentyl)-N-octyloctan-1-amine?
N-(4-methylpentyl)-N-octyloctan-1-amine has a molecular weight of 325.63 g/mol, XLogP of 7.45, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpentyl)-N-octyloctan-1-amine is sourced from PubChem (CID 139723154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).