N,N-dihexyloctan-1-amine

C20H43N — CID 21418080

IUPACN,N-dihexyloctan-1-amine
SMILESCCCCCCCCN(CCCCCC)CCCCCC
InChIInChI=1S/C20H43N/c1-4-7-10-13-14-17-20-21(18-15-11-8-5-2)19-16-12-9-6-3/h4-20H2,1-3H3
InChIKeyJORVYIAPZYMYSJ-UHFFFAOYSA-N
MW297.57 g/mol
LogP6.81
Rot. Bonds17

About N,N-dihexyloctan-1-amine

N,N-dihexyloctan-1-amine (PubChem CID 21418080) has the molecular formula C20H43N and a molecular weight of 297.57 g/mol. Its IUPAC name is N,N-dihexyloctan-1-amine.

Molecular Properties

Compound NameN,N-dihexyloctan-1-amine
PubChem CID21418080
Molecular FormulaC20H43N
Molecular Weight297.57 g/mol
Exact Mass297.34
IUPAC NameN,N-dihexyloctan-1-amine
SMILESCCCCCCCCN(CCCCCC)CCCCCC
InChIInChI=1S/C20H43N/c1-4-7-10-13-14-17-20-21(18-15-11-8-5-2)19-16-12-9-6-3/h4-20H2,1-3H3
InChIKeyJORVYIAPZYMYSJ-UHFFFAOYSA-N
XLogP6.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.57
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,N-dihexyloctan-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-dipentylpentadecan-1-amine
CID 139722952
N,N-didodecyltridecan-1-amine
CID 87212898
N,N-dioctyloctan-1-amine
CID 14227
N-docosyl-N-icosyldocosan-1-amine
CID 23464225
N,N-dipentylhexadecan-1-amine
CID 139723811
N,N,N',N'-tetra(undecyl)pentane-1,5-diamine
CID 152635971
N-pentadecyl-N-pentylpentadecan-1-amine
CID 139722928
N-heptadecyl-N-heptylheptadecan-1-amine
CID 139722683
N,N-didecyltridecan-1-amine
CID 139723202
N,N-dipentyltridecan-1-amine
CID 139723521
N,N'-didodecyl-N,N'-dioctylhexane-1,6-diamine
CID 154294870
N,N-dioctyloctan-1-amine;silane
CID 174796791

Frequently Asked Questions

What is the IUPAC name of N,N-dihexyloctan-1-amine?
The IUPAC name of N,N-dihexyloctan-1-amine (CID 21418080) is N,N-dihexyloctan-1-amine.
What is the SMILES notation for N,N-dihexyloctan-1-amine?
The canonical SMILES for N,N-dihexyloctan-1-amine is CCCCCCCCN(CCCCCC)CCCCCC.
What is the InChIKey of N,N-dihexyloctan-1-amine?
The InChIKey is JORVYIAPZYMYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43N/c1-4-7-10-13-14-17-20-21(18-15-11-8-5-2)19-16-12-9-6-3/h4-20H2,1-3H3.
What are the key properties of N,N-dihexyloctan-1-amine?
N,N-dihexyloctan-1-amine has a molecular weight of 297.57 g/mol, XLogP of 6.81, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dihexyloctan-1-amine is sourced from PubChem (CID 21418080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).