2-amino-N-(1-aminohexan-2-yl)-2-methylpentanamide

C12H27N3O — CID 122080967

IUPAC2-amino-N-(1-aminohexan-2-yl)-2-methylpentanamide
SMILESCCCCC(CN)NC(=O)C(C)(N)CCC
InChIInChI=1S/C12H27N3O/c1-4-6-7-10(9-13)15-11(16)12(3,14)8-5-2/h10H,4-9,13-14H2,1-3H3,(H,15,16)
InChIKeyXWTKFGVSCOWVDX-UHFFFAOYSA-N
MW229.37 g/mol
LogP1.14
Rot. Bonds8

About 2-amino-N-(1-aminohexan-2-yl)-2-methylpentanamide

2-amino-N-(1-aminohexan-2-yl)-2-methylpentanamide (PubChem CID 122080967) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is 2-amino-N-(1-aminohexan-2-yl)-2-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-(1-aminohexan-2-yl)-2-methylpentanamide
PubChem CID122080967
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name2-amino-N-(1-aminohexan-2-yl)-2-methylpentanamide
SMILESCCCCC(CN)NC(=O)C(C)(N)CCC
InChIInChI=1S/C12H27N3O/c1-4-6-7-10(9-13)15-11(16)12(3,14)8-5-2/h10H,4-9,13-14H2,1-3H3,(H,15,16)
InChIKeyXWTKFGVSCOWVDX-UHFFFAOYSA-N
XLogP1.14
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminohexan-2-yl)-2,2,4-trimethylpentanamide;hydrochloride
CID 119666304
N-(1-aminohexan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112603533
2-amino-N-(5,5-dimethylhexan-2-yl)-2-methylpentanamide
CID 119796586
N-(1-aminohexan-2-yl)-3-methoxy-3-methylbutanamide
CID 103021601
2-amino-2-methyl-N-(6-methylheptan-2-yl)pentanamide;hydrochloride
CID 119673366
N-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]-3,3-dimethylbutanamide
CID 119666894
(2S)-2-[(2-amino-2-methylpentanoyl)amino]pentanoic acid
CID 103869776
N-(1-aminohexan-2-yl)-2-methyl-2-thiophen-2-ylpropanamide;hydrochloride
CID 119667782
2-[(2-amino-2-methylpentanoyl)amino]propanoic acid
CID 61157718
3-(1-aminohexan-2-yl)-1,1-dimethylurea
CID 80697976
N-(1-aminohexan-2-yl)-3-methylpentanamide
CID 114875681
N-(1-aminohexan-2-yl)-2-(2-fluorophenyl)-2-methylpropanamide
CID 119666719

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-aminohexan-2-yl)-2-methylpentanamide?
The IUPAC name of 2-amino-N-(1-aminohexan-2-yl)-2-methylpentanamide (CID 122080967) is 2-amino-N-(1-aminohexan-2-yl)-2-methylpentanamide.
What is the SMILES notation for 2-amino-N-(1-aminohexan-2-yl)-2-methylpentanamide?
The canonical SMILES for 2-amino-N-(1-aminohexan-2-yl)-2-methylpentanamide is CCCCC(CN)NC(=O)C(C)(N)CCC.
What is the InChIKey of 2-amino-N-(1-aminohexan-2-yl)-2-methylpentanamide?
The InChIKey is XWTKFGVSCOWVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-4-6-7-10(9-13)15-11(16)12(3,14)8-5-2/h10H,4-9,13-14H2,1-3H3,(H,15,16).
What are the key properties of 2-amino-N-(1-aminohexan-2-yl)-2-methylpentanamide?
2-amino-N-(1-aminohexan-2-yl)-2-methylpentanamide has a molecular weight of 229.37 g/mol, XLogP of 1.14, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-aminohexan-2-yl)-2-methylpentanamide is sourced from PubChem (CID 122080967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).