4-N,4-N-dibutyl-2-N-propylpentane-2,4-diamine

C16H36N2 — CID 64708204

IUPAC4-N,4-N-dibutyl-2-N-propylpentane-2,4-diamine
SMILESCCCCN(CCCC)C(C)CC(C)NCCC
InChIInChI=1S/C16H36N2/c1-6-9-12-18(13-10-7-2)16(5)14-15(4)17-11-8-3/h15-17H,6-14H2,1-5H3
InChIKeyKPYHNTMIRBRSAC-UHFFFAOYSA-N
MW256.48 g/mol
LogP4.06
Rot. Bonds12

About 4-N,4-N-dibutyl-2-N-propylpentane-2,4-diamine

4-N,4-N-dibutyl-2-N-propylpentane-2,4-diamine (PubChem CID 64708204) has the molecular formula C16H36N2 and a molecular weight of 256.48 g/mol. Its IUPAC name is 4-N,4-N-dibutyl-2-N-propylpentane-2,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dibutyl-2-N-propylpentane-2,4-diamine
PubChem CID64708204
Molecular FormulaC16H36N2
Molecular Weight256.48 g/mol
Exact Mass256.29
IUPAC Name4-N,4-N-dibutyl-2-N-propylpentane-2,4-diamine
SMILESCCCCN(CCCC)C(C)CC(C)NCCC
InChIInChI=1S/C16H36N2/c1-6-9-12-18(13-10-7-2)16(5)14-15(4)17-11-8-3/h15-17H,6-14H2,1-5H3
InChIKeyKPYHNTMIRBRSAC-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.48
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-ethyl-4-N-(2-methylpropyl)-2-N-propylpentane-2,4-diamine
CID 64706147
4-N-ethyl-4-N-(2-ethylbutyl)-2-N-propylpentane-2,4-diamine
CID 64705964
4-N,4-N-dibutylpentane-2,4-diamine
CID 64708414
N'-butan-2-yl-N'-butyl-N-(1-methoxypropan-2-yl)ethane-1,2-diamine
CID 62557619
1-N-butan-2-yl-1-N-butyl-2-N-propylbutane-1,2-diamine
CID 62040138
4-methyl-N-propyldodecan-2-amine
CID 64721884
4-butylsulfanyl-N-propylpentan-2-amine
CID 64703228
1-N-butan-2-yl-1-N-butyl-4,4-dimethyl-3-N-propylpentane-1,3-diamine
CID 63493785
N'-butan-2-yl-N'-butyl-N-propylbutane-1,4-diamine
CID 55069340
(2S)-N,N-dibutylhexan-2-amine
CID 124633708
N-propylnonan-2-amine
CID 43129664
4,5-dimethyl-N-propylheptan-2-amine
CID 79443938

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dibutyl-2-N-propylpentane-2,4-diamine?
The IUPAC name of 4-N,4-N-dibutyl-2-N-propylpentane-2,4-diamine (CID 64708204) is 4-N,4-N-dibutyl-2-N-propylpentane-2,4-diamine.
What is the SMILES notation for 4-N,4-N-dibutyl-2-N-propylpentane-2,4-diamine?
The canonical SMILES for 4-N,4-N-dibutyl-2-N-propylpentane-2,4-diamine is CCCCN(CCCC)C(C)CC(C)NCCC.
What is the InChIKey of 4-N,4-N-dibutyl-2-N-propylpentane-2,4-diamine?
The InChIKey is KPYHNTMIRBRSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2/c1-6-9-12-18(13-10-7-2)16(5)14-15(4)17-11-8-3/h15-17H,6-14H2,1-5H3.
What are the key properties of 4-N,4-N-dibutyl-2-N-propylpentane-2,4-diamine?
4-N,4-N-dibutyl-2-N-propylpentane-2,4-diamine has a molecular weight of 256.48 g/mol, XLogP of 4.06, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dibutyl-2-N-propylpentane-2,4-diamine is sourced from PubChem (CID 64708204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).