2-N,2-N-dibutylpentane-1,2-diamine

C13H30N2 — CID 43125906

IUPAC2-N,2-N-dibutylpentane-1,2-diamine
SMILESCCCCN(CCCC)C(CN)CCC
InChIInChI=1S/C13H30N2/c1-4-7-10-15(11-8-5-2)13(12-14)9-6-3/h13H,4-12,14H2,1-3H3
InChIKeyJQFOFOANEBGIRJ-UHFFFAOYSA-N
MW214.40 g/mol
LogP3.02
Rot. Bonds10

About 2-N,2-N-dibutylpentane-1,2-diamine

2-N,2-N-dibutylpentane-1,2-diamine (PubChem CID 43125906) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is 2-N,2-N-dibutylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-dibutylpentane-1,2-diamine
PubChem CID43125906
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC Name2-N,2-N-dibutylpentane-1,2-diamine
SMILESCCCCN(CCCC)C(CN)CCC
InChIInChI=1S/C13H30N2/c1-4-7-10-15(11-8-5-2)13(12-14)9-6-3/h13H,4-12,14H2,1-3H3
InChIKeyJQFOFOANEBGIRJ-UHFFFAOYSA-N
XLogP3.02
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.40
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N,2-N-bis(3-methylbutyl)pentane-1,2-diamine
CID 114011109
N,N-dibutyltridecan-4-amine
CID 139649762
N,N-dibutyldocosan-4-amine;hydrochloride
CID 88809757
2-N,2-N-bis(3-methylbutyl)heptane-1,2-diamine
CID 107869478
3-amino-2-[butyl(ethyl)amino]propan-1-ol
CID 104710797
2-N,2-N-bis(3-methylbutyl)nonane-1,2-diamine
CID 107869547
2-N,2-N-diethyloctadecane-1,2-diamine
CID 142627498
2-N,2-N-bis(2-ethoxyethyl)octane-1,2-diamine
CID 82965560
2-N-propyl-2-N-prop-2-ynylpentane-1,2-diamine
CID 83044234
5-(dibutylamino)octan-3-ol;hydrate
CID 175204296
2-N-propyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine
CID 78974653
1-N-tert-butyl-2-N,2-N-dibutylpentane-1,2-diamine
CID 83042225

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dibutylpentane-1,2-diamine?
The IUPAC name of 2-N,2-N-dibutylpentane-1,2-diamine (CID 43125906) is 2-N,2-N-dibutylpentane-1,2-diamine.
What is the SMILES notation for 2-N,2-N-dibutylpentane-1,2-diamine?
The canonical SMILES for 2-N,2-N-dibutylpentane-1,2-diamine is CCCCN(CCCC)C(CN)CCC.
What is the InChIKey of 2-N,2-N-dibutylpentane-1,2-diamine?
The InChIKey is JQFOFOANEBGIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2/c1-4-7-10-15(11-8-5-2)13(12-14)9-6-3/h13H,4-12,14H2,1-3H3.
What are the key properties of 2-N,2-N-dibutylpentane-1,2-diamine?
2-N,2-N-dibutylpentane-1,2-diamine has a molecular weight of 214.40 g/mol, XLogP of 3.02, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dibutylpentane-1,2-diamine is sourced from PubChem (CID 43125906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).