2-N,2-N-dibutyl-2-ethylpentane-1,2-diamine

C15H34N2 — CID 114079873

IUPAC2-N,2-N-dibutyl-2-ethylpentane-1,2-diamine
SMILESCCCCN(CCCC)C(CC)(CN)CCC
InChIInChI=1S/C15H34N2/c1-5-9-12-17(13-10-6-2)15(8-4,14-16)11-7-3/h5-14,16H2,1-4H3
InChIKeyNLGHWMKNDGGNCG-UHFFFAOYSA-N
MW242.45 g/mol
LogP3.80
Rot. Bonds11

About 2-N,2-N-dibutyl-2-ethylpentane-1,2-diamine

2-N,2-N-dibutyl-2-ethylpentane-1,2-diamine (PubChem CID 114079873) has the molecular formula C15H34N2 and a molecular weight of 242.45 g/mol. Its IUPAC name is 2-N,2-N-dibutyl-2-ethylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-dibutyl-2-ethylpentane-1,2-diamine
PubChem CID114079873
Molecular FormulaC15H34N2
Molecular Weight242.45 g/mol
Exact Mass242.27
IUPAC Name2-N,2-N-dibutyl-2-ethylpentane-1,2-diamine
SMILESCCCCN(CCCC)C(CC)(CN)CCC
InChIInChI=1S/C15H34N2/c1-5-9-12-17(13-10-6-2)15(8-4,14-16)11-7-3/h5-14,16H2,1-4H3
InChIKeyNLGHWMKNDGGNCG-UHFFFAOYSA-N
XLogP3.80
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.45
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dibutyl-5-propylnonan-5-amine
CID 141372550
2-N,2-diethyl-2-N-pentylbutane-1,2-diamine
CID 62008795
N,N,5-tributylnonan-5-amine
CID 175088572
3-[3-(aminomethyl)pentan-3-yl-propylamino]propan-1-ol
CID 62008603
2-ethyl-2-N-(3-ethylsulfonylpropyl)-2-N-propylbutane-1,2-diamine
CID 65094284
2-N,2-N-dimethyl-2-propylpentane-1,2-diamine
CID 24689392
2-ethyl-2-N-hexyl-2-N-methylbutane-1,2-diamine
CID 62008988
2-ethyl-2-N,2-N-bis(3-methylbutyl)butane-1,2-diamine
CID 107869452
butyl(4-ethyloctan-4-yl)carbamic acid
CID 175187890
2-ethyl-2-N-(3-methoxypropyl)-2-N-methylhexane-1,2-diamine
CID 63951842
2-ethyl-2-N-methyl-2-N-pentan-2-ylhexane-1,2-diamine
CID 63945751
N'-butyl-N',2-dimethyl-2-propylpropane-1,3-diamine
CID 62263205

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dibutyl-2-ethylpentane-1,2-diamine?
The IUPAC name of 2-N,2-N-dibutyl-2-ethylpentane-1,2-diamine (CID 114079873) is 2-N,2-N-dibutyl-2-ethylpentane-1,2-diamine.
What is the SMILES notation for 2-N,2-N-dibutyl-2-ethylpentane-1,2-diamine?
The canonical SMILES for 2-N,2-N-dibutyl-2-ethylpentane-1,2-diamine is CCCCN(CCCC)C(CC)(CN)CCC.
What is the InChIKey of 2-N,2-N-dibutyl-2-ethylpentane-1,2-diamine?
The InChIKey is NLGHWMKNDGGNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2/c1-5-9-12-17(13-10-6-2)15(8-4,14-16)11-7-3/h5-14,16H2,1-4H3.
What are the key properties of 2-N,2-N-dibutyl-2-ethylpentane-1,2-diamine?
2-N,2-N-dibutyl-2-ethylpentane-1,2-diamine has a molecular weight of 242.45 g/mol, XLogP of 3.80, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dibutyl-2-ethylpentane-1,2-diamine is sourced from PubChem (CID 114079873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).