N-(1-aminohexan-2-yl)-3-methylpentanamide

C12H26N2O — CID 114875681

IUPACN-(1-aminohexan-2-yl)-3-methylpentanamide
SMILESCCCCC(CN)NC(=O)CC(C)CC
InChIInChI=1S/C12H26N2O/c1-4-6-7-11(9-13)14-12(15)8-10(3)5-2/h10-11H,4-9,13H2,1-3H3,(H,14,15)
InChIKeyIMXLIZACGYVQEB-UHFFFAOYSA-N
MW214.35 g/mol
LogP2.06
Rot. Bonds8

About N-(1-aminohexan-2-yl)-3-methylpentanamide

N-(1-aminohexan-2-yl)-3-methylpentanamide (PubChem CID 114875681) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-3-methylpentanamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-3-methylpentanamide
PubChem CID114875681
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN-(1-aminohexan-2-yl)-3-methylpentanamide
SMILESCCCCC(CN)NC(=O)CC(C)CC
InChIInChI=1S/C12H26N2O/c1-4-6-7-11(9-13)14-12(15)8-10(3)5-2/h10-11H,4-9,13H2,1-3H3,(H,14,15)
InChIKeyIMXLIZACGYVQEB-UHFFFAOYSA-N
XLogP2.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 119668250
N-[(2S)-1-aminohexan-2-yl]-2,3-dimethylbutanamide
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(3R)-N-[(2R)-1-hydroxyhexan-2-yl]-3-methyltetradecanamide
CID 88590856
N-[(2S)-1-aminopropan-2-yl]-3-ethylheptanamide;hydrochloride
CID 120506388
N-(1-aminohexan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
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2-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]sulfanylacetamide;hydrochloride
CID 119668001
N'-(1-aminohexan-2-yl)-N-ethylpentanediamide;hydrochloride
CID 119668224
N-(1-aminohexan-2-yl)-3-propoxypropanamide
CID 80697621
N-(1-aminohexan-2-yl)-2-(3-methylbutylsulfanyl)acetamide;hydrochloride
CID 119667683
3-(1-aminohexan-2-yl)-1,1-dimethylurea
CID 80697976
N-(1-aminohexan-2-yl)-3-methoxy-3-methylbutanamide
CID 103021601
N-(1-aminohexan-2-yl)-2-(2,6-dimethylanilino)acetamide
CID 119668833

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-3-methylpentanamide?
The IUPAC name of N-(1-aminohexan-2-yl)-3-methylpentanamide (CID 114875681) is N-(1-aminohexan-2-yl)-3-methylpentanamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-3-methylpentanamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-3-methylpentanamide is CCCCC(CN)NC(=O)CC(C)CC.
What is the InChIKey of N-(1-aminohexan-2-yl)-3-methylpentanamide?
The InChIKey is IMXLIZACGYVQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-4-6-7-11(9-13)14-12(15)8-10(3)5-2/h10-11H,4-9,13H2,1-3H3,(H,14,15).
What are the key properties of N-(1-aminohexan-2-yl)-3-methylpentanamide?
N-(1-aminohexan-2-yl)-3-methylpentanamide has a molecular weight of 214.35 g/mol, XLogP of 2.06, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-3-methylpentanamide is sourced from PubChem (CID 114875681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).