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

C12H28N2 — CID 62199149

IUPAC1-N-hexan-2-yl-2-methylpentane-1,2-diamine
SMILESCCCCC(C)NCC(C)(N)CCC
InChIInChI=1S/C12H28N2/c1-5-7-8-11(3)14-10-12(4,13)9-6-2/h11,14H,5-10,13H2,1-4H3
InChIKeyZOCWZIBJAFYLMB-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.67
Rot. Bonds8

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

1-N-hexan-2-yl-2-methylpentane-1,2-diamine (PubChem CID 62199149) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is 1-N-hexan-2-yl-2-methylpentane-1,2-diamine.

Molecular Properties

Compound Name1-N-hexan-2-yl-2-methylpentane-1,2-diamine
PubChem CID62199149
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC Name1-N-hexan-2-yl-2-methylpentane-1,2-diamine
SMILESCCCCC(C)NCC(C)(N)CCC
InChIInChI=1S/C12H28N2/c1-5-7-8-11(3)14-10-12(4,13)9-6-2/h11,14H,5-10,13H2,1-4H3
InChIKeyZOCWZIBJAFYLMB-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N'-tert-butyl-N-hexan-2-ylethane-1,2-diamine
CID 79257480
N-(3,3,3-trifluoropropyl)hexan-2-amine
CID 63226562
3-ethyl-3-[(hexan-2-ylamino)methyl]pentan-1-ol
CID 115726149
2-methyl-1-[[(2R)-nonan-2-yl]amino]propan-2-ol
CID 98118384
2-methyl-1-(6-methylheptan-2-ylamino)pentan-2-ol
CID 115719490
6-(hexan-2-ylamino)-2,2-dimethylhexanenitrile
CID 106709258
1-N-hexan-2-ylpropane-1,2-diamine
CID 62201000
N-(2-methoxy-2-methylpropyl)nonan-2-amine
CID 104759526
N-(2,2,2-trifluoroethyl)nonan-2-amine
CID 43129666
1-(hexan-2-ylamino)-2-phenylpropan-2-ol
CID 62374352
1-(heptan-2-ylamino)-2,3-dimethylpentan-2-ol
CID 115719513
tert-butyl N-[1-(hexan-2-ylamino)-2-methylpropan-2-yl]carbamate
CID 103788233

Frequently Asked Questions

What is the IUPAC name of 1-N-hexan-2-yl-2-methylpentane-1,2-diamine?
The IUPAC name of 1-N-hexan-2-yl-2-methylpentane-1,2-diamine (CID 62199149) is 1-N-hexan-2-yl-2-methylpentane-1,2-diamine.
What is the SMILES notation for 1-N-hexan-2-yl-2-methylpentane-1,2-diamine?
The canonical SMILES for 1-N-hexan-2-yl-2-methylpentane-1,2-diamine is CCCCC(C)NCC(C)(N)CCC.
What is the InChIKey of 1-N-hexan-2-yl-2-methylpentane-1,2-diamine?
The InChIKey is ZOCWZIBJAFYLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-5-7-8-11(3)14-10-12(4,13)9-6-2/h11,14H,5-10,13H2,1-4H3.
What are the key properties of 1-N-hexan-2-yl-2-methylpentane-1,2-diamine?
1-N-hexan-2-yl-2-methylpentane-1,2-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.67, 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-2-methylpentane-1,2-diamine is sourced from PubChem (CID 62199149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).