2-N-(2-ethylhexyl)propane-1,2-diamine

C11H26N2 — CID 57275977

IUPAC2-N-(2-ethylhexyl)propane-1,2-diamine
SMILESCCCCC(CC)CNC(C)CN
InChIInChI=1S/C11H26N2/c1-4-6-7-11(5-2)9-13-10(3)8-12/h10-11,13H,4-9,12H2,1-3H3
InChIKeyUGRXKGJVCOXXDP-UHFFFAOYSA-N
MW186.34 g/mol
LogP2.14
Rot. Bonds8

About 2-N-(2-ethylhexyl)propane-1,2-diamine

2-N-(2-ethylhexyl)propane-1,2-diamine (PubChem CID 57275977) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is 2-N-(2-ethylhexyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-ethylhexyl)propane-1,2-diamine
PubChem CID57275977
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC Name2-N-(2-ethylhexyl)propane-1,2-diamine
SMILESCCCCC(CC)CNC(C)CN
InChIInChI=1S/C11H26N2/c1-4-6-7-11(5-2)9-13-10(3)8-12/h10-11,13H,4-9,12H2,1-3H3
InChIKeyUGRXKGJVCOXXDP-UHFFFAOYSA-N
XLogP2.14
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-(2-ethylpentyl)butane-1,3-diamine
CID 143412123
(2S)-2-ethylhexan-1-amine
CID 6999997
ethane;3-N-(2-ethylpentyl)butane-1,3-diamine
CID 143412122
N-(3,3-dimethylbutan-2-yl)-2-ethylhexan-1-amine
CID 104828083
2-ethylhexan-1-amine;hydrate
CID 173045208
2-ethylhexan-1-amine;dihydrochloride
CID 142641821
N'-(2-ethylhexyl)-2-methylpentane-1,5-diamine
CID 107815978
1-N-hexan-2-ylpropane-1,2-diamine
CID 62201000
N-[(2S)-1-aminopropan-2-yl]-3-ethylheptanamide;hydrochloride
CID 120506388
5-ethyl-2-methyl-N-propan-2-ylnonan-1-amine
CID 64666042
3-(2-ethylhexylamino)-2-methylbutanoic acid
CID 107816704
2-butylhexan-1-amine
CID 54041151

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-ethylhexyl)propane-1,2-diamine?
The IUPAC name of 2-N-(2-ethylhexyl)propane-1,2-diamine (CID 57275977) is 2-N-(2-ethylhexyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-(2-ethylhexyl)propane-1,2-diamine?
The canonical SMILES for 2-N-(2-ethylhexyl)propane-1,2-diamine is CCCCC(CC)CNC(C)CN.
What is the InChIKey of 2-N-(2-ethylhexyl)propane-1,2-diamine?
The InChIKey is UGRXKGJVCOXXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2/c1-4-6-7-11(5-2)9-13-10(3)8-12/h10-11,13H,4-9,12H2,1-3H3.
What are the key properties of 2-N-(2-ethylhexyl)propane-1,2-diamine?
2-N-(2-ethylhexyl)propane-1,2-diamine has a molecular weight of 186.34 g/mol, XLogP of 2.14, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-ethylhexyl)propane-1,2-diamine is sourced from PubChem (CID 57275977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).