1-N-hexan-2-yl-4-methylpentane-1,2-diamine

C12H28N2 — CID 62200998

IUPAC1-N-hexan-2-yl-4-methylpentane-1,2-diamine
SMILESCCCCC(C)NCC(N)CC(C)C
InChIInChI=1S/C12H28N2/c1-5-6-7-11(4)14-9-12(13)8-10(2)3/h10-12,14H,5-9,13H2,1-4H3
InChIKeyXEAGHGZCLXSVFY-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.53
Rot. Bonds8

About 1-N-hexan-2-yl-4-methylpentane-1,2-diamine

1-N-hexan-2-yl-4-methylpentane-1,2-diamine (PubChem CID 62200998) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is 1-N-hexan-2-yl-4-methylpentane-1,2-diamine.

Molecular Properties

Compound Name1-N-hexan-2-yl-4-methylpentane-1,2-diamine
PubChem CID62200998
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC Name1-N-hexan-2-yl-4-methylpentane-1,2-diamine
SMILESCCCCC(C)NCC(N)CC(C)C
InChIInChI=1S/C12H28N2/c1-5-6-7-11(4)14-9-12(13)8-10(2)3/h10-12,14H,5-9,13H2,1-4H3
InChIKeyXEAGHGZCLXSVFY-UHFFFAOYSA-N
XLogP2.53
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-hexan-2-ylpropane-1,2-diamine
CID 62201000
1-N-hexan-2-yl-2-methylheptane-1,6-diamine
CID 65295730
(2S)-N-(2,3-dimethylbutyl)hexan-2-amine
CID 134386655
2-amino-3-(hexan-2-ylamino)propanamide
CID 103248372
(4R)-2-methyldecan-4-amine
CID 14572815
2,7-dimethylundecan-4-amine
CID 20767200
(4R)-2-methylnonan-4-amine;hydrochloride
CID 14572809
1-N'-[2-[2-(2-aminopropylamino)propylamino]propyl]tetracosane-1,1,6-triamine
CID 88512962
2,4-dimethylnonan-5-amine
CID 123957338
N-(2-amino-4-methylpentyl)dodecanamide
CID 107158867
1-(hexan-2-ylamino)-3-methoxypropan-2-ol
CID 63929255
3-(heptan-2-ylamino)-2-methylpropanamide
CID 61464618

Frequently Asked Questions

What is the IUPAC name of 1-N-hexan-2-yl-4-methylpentane-1,2-diamine?
The IUPAC name of 1-N-hexan-2-yl-4-methylpentane-1,2-diamine (CID 62200998) is 1-N-hexan-2-yl-4-methylpentane-1,2-diamine.
What is the SMILES notation for 1-N-hexan-2-yl-4-methylpentane-1,2-diamine?
The canonical SMILES for 1-N-hexan-2-yl-4-methylpentane-1,2-diamine is CCCCC(C)NCC(N)CC(C)C.
What is the InChIKey of 1-N-hexan-2-yl-4-methylpentane-1,2-diamine?
The InChIKey is XEAGHGZCLXSVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-5-6-7-11(4)14-9-12(13)8-10(2)3/h10-12,14H,5-9,13H2,1-4H3.
What are the key properties of 1-N-hexan-2-yl-4-methylpentane-1,2-diamine?
1-N-hexan-2-yl-4-methylpentane-1,2-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.53, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-hexan-2-yl-4-methylpentane-1,2-diamine is sourced from PubChem (CID 62200998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).