N,N-dibutyl-N',N'-di(propan-2-yl)tetradecane-1,14-diamine

C28H60N2 — CID 91807307

IUPACN,N-dibutyl-N',N'-di(propan-2-yl)tetradecane-1,14-diamine
SMILESCCCCN(CCCC)CCCCCCCCCCCCCCN(C(C)C)C(C)C
InChIInChI=1S/C28H60N2/c1-7-9-23-29(24-10-8-2)25-21-19-17-15-13-11-12-14-16-18-20-22-26-30(27(3)4)28(5)6/h27-28H,7-26H2,1-6H3
InChIKeyYQCUBFRHOWHUSA-UHFFFAOYSA-N
MW424.80 g/mol
LogP8.69
Rot. Bonds23

About N,N-dibutyl-N',N'-di(propan-2-yl)tetradecane-1,14-diamine

N,N-dibutyl-N',N'-di(propan-2-yl)tetradecane-1,14-diamine (PubChem CID 91807307) has the molecular formula C28H60N2 and a molecular weight of 424.80 g/mol. Its IUPAC name is N,N-dibutyl-N',N'-di(propan-2-yl)tetradecane-1,14-diamine.

Molecular Properties

Compound NameN,N-dibutyl-N',N'-di(propan-2-yl)tetradecane-1,14-diamine
PubChem CID91807307
Molecular FormulaC28H60N2
Molecular Weight424.80 g/mol
Exact Mass424.48
IUPAC NameN,N-dibutyl-N',N'-di(propan-2-yl)tetradecane-1,14-diamine
SMILESCCCCN(CCCC)CCCCCCCCCCCCCCN(C(C)C)C(C)C
InChIInChI=1S/C28H60N2/c1-7-9-23-29(24-10-8-2)25-21-19-17-15-13-11-12-14-16-18-20-22-26-30(27(3)4)28(5)6/h27-28H,7-26H2,1-6H3
InChIKeyYQCUBFRHOWHUSA-UHFFFAOYSA-N
XLogP8.69
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds23
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.80
LogP ≤ 58.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,N-dibutyl-N',N'-di(propan-2-yl)tetradecane-1,14-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-di(propan-2-yl)heptadecan-1-amine
CID 138744995
N,N-di(propan-2-yl)butan-1-amine
CID 11062646
N,N-dibutylpentadecan-1-amine
CID 4175227
N-butyl-N-dodecyldodecan-1-amine;ethane
CID 177188855
N-butyl-N-undecyldodecan-1-amine
CID 168880724
N,N-dibutyl-12-methyltridecan-1-amine
CID 139723221
N,N-dihexyloctan-1-amine
CID 21418080
N,N-dioctyloctan-1-amine
CID 14227
N,N-dipentyltridecan-1-amine
CID 139723521
N,N-dipentylpentadecan-1-amine
CID 139722952
N,N-didodecyltridecan-1-amine
CID 87212898
N-docosyl-N-icosyldocosan-1-amine
CID 23464225

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-N',N'-di(propan-2-yl)tetradecane-1,14-diamine?
The IUPAC name of N,N-dibutyl-N',N'-di(propan-2-yl)tetradecane-1,14-diamine (CID 91807307) is N,N-dibutyl-N',N'-di(propan-2-yl)tetradecane-1,14-diamine.
What is the SMILES notation for N,N-dibutyl-N',N'-di(propan-2-yl)tetradecane-1,14-diamine?
The canonical SMILES for N,N-dibutyl-N',N'-di(propan-2-yl)tetradecane-1,14-diamine is CCCCN(CCCC)CCCCCCCCCCCCCCN(C(C)C)C(C)C.
What is the InChIKey of N,N-dibutyl-N',N'-di(propan-2-yl)tetradecane-1,14-diamine?
The InChIKey is YQCUBFRHOWHUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H60N2/c1-7-9-23-29(24-10-8-2)25-21-19-17-15-13-11-12-14-16-18-20-22-26-30(27(3)4)28(5)6/h27-28H,7-26H2,1-6H3.
What are the key properties of N,N-dibutyl-N',N'-di(propan-2-yl)tetradecane-1,14-diamine?
N,N-dibutyl-N',N'-di(propan-2-yl)tetradecane-1,14-diamine has a molecular weight of 424.80 g/mol, XLogP of 8.69, 23 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-N',N'-di(propan-2-yl)tetradecane-1,14-diamine is sourced from PubChem (CID 91807307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).