N,N'-didodecyl-N,N'-dioctylhexane-1,6-diamine

C46H96N2 — CID 154294870

IUPACN,N'-didodecyl-N,N'-dioctylhexane-1,6-diamine
SMILESCCCCCCCCCCCCN(CCCCCCCC)CCCCCCN(CCCCCCCC)CCCCCCCCCCCC
InChIInChI=1S/C46H96N2/c1-5-9-13-17-21-23-25-27-31-37-43-47(41-35-29-19-15-11-7-3)45-39-33-34-40-46-48(42-36-30-20-16-12-8-4)44-38-32-28-26-24-22-18-14-10-6-2/h5-46H2,1-4H3
InChIKeyDLMNPFVHCFKCDZ-UHFFFAOYSA-N
MW677.29 g/mol
LogP15.71
Rot. Bonds43

About N,N'-didodecyl-N,N'-dioctylhexane-1,6-diamine

N,N'-didodecyl-N,N'-dioctylhexane-1,6-diamine (PubChem CID 154294870) has the molecular formula C46H96N2 and a molecular weight of 677.29 g/mol. Its IUPAC name is N,N'-didodecyl-N,N'-dioctylhexane-1,6-diamine.

Molecular Properties

Compound NameN,N'-didodecyl-N,N'-dioctylhexane-1,6-diamine
PubChem CID154294870
Molecular FormulaC46H96N2
Molecular Weight677.29 g/mol
Exact Mass676.76
IUPAC NameN,N'-didodecyl-N,N'-dioctylhexane-1,6-diamine
SMILESCCCCCCCCCCCCN(CCCCCCCC)CCCCCCN(CCCCCCCC)CCCCCCCCCCCC
InChIInChI=1S/C46H96N2/c1-5-9-13-17-21-23-25-27-31-37-43-47(41-35-29-19-15-11-7-3)45-39-33-34-40-46-48(42-36-30-20-16-12-8-4)44-38-32-28-26-24-22-18-14-10-6-2/h5-46H2,1-4H3
InChIKeyDLMNPFVHCFKCDZ-UHFFFAOYSA-N
XLogP15.71
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds43
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.29
LogP ≤ 515.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,N'-didodecyl-N,N'-dioctylhexane-1,6-diamine 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,N-dihexyloctan-1-amine
CID 21418080
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-dioctyloctan-1-amine;silane
CID 174796791

Frequently Asked Questions

What is the IUPAC name of N,N'-didodecyl-N,N'-dioctylhexane-1,6-diamine?
The IUPAC name of N,N'-didodecyl-N,N'-dioctylhexane-1,6-diamine (CID 154294870) is N,N'-didodecyl-N,N'-dioctylhexane-1,6-diamine.
What is the SMILES notation for N,N'-didodecyl-N,N'-dioctylhexane-1,6-diamine?
The canonical SMILES for N,N'-didodecyl-N,N'-dioctylhexane-1,6-diamine is CCCCCCCCCCCCN(CCCCCCCC)CCCCCCN(CCCCCCCC)CCCCCCCCCCCC.
What is the InChIKey of N,N'-didodecyl-N,N'-dioctylhexane-1,6-diamine?
The InChIKey is DLMNPFVHCFKCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H96N2/c1-5-9-13-17-21-23-25-27-31-37-43-47(41-35-29-19-15-11-7-3)45-39-33-34-40-46-48(42-36-30-20-16-12-8-4)44-38-32-28-26-24-22-18-14-10-6-2/h5-46H2,1-4H3.
What are the key properties of N,N'-didodecyl-N,N'-dioctylhexane-1,6-diamine?
N,N'-didodecyl-N,N'-dioctylhexane-1,6-diamine has a molecular weight of 677.29 g/mol, XLogP of 15.71, 43 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-didodecyl-N,N'-dioctylhexane-1,6-diamine is sourced from PubChem (CID 154294870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).