N-(1-aminohexan-2-yl)-2,2,4-trimethylpentanamide;hydrochloride

C14H31ClN2O — CID 119666304

IUPACN-(1-aminohexan-2-yl)-2,2,4-trimethylpentanamide;hydrochloride
SMILESCCCCC(CN)NC(=O)C(C)(C)CC(C)C.Cl
InChIInChI=1S/C14H30N2O.ClH/c1-6-7-8-12(10-15)16-13(17)14(4,5)9-11(2)3;/h11-12H,6-10,15H2,1-5H3,(H,16,17);1H
InChIKeyXWZAWJLMNQKBRU-UHFFFAOYSA-N
MW278.87 g/mol
LogP3.11
Rot. Bonds8

About N-(1-aminohexan-2-yl)-2,2,4-trimethylpentanamide;hydrochloride

N-(1-aminohexan-2-yl)-2,2,4-trimethylpentanamide;hydrochloride (PubChem CID 119666304) has the molecular formula C14H31ClN2O and a molecular weight of 278.87 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-2,2,4-trimethylpentanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-2,2,4-trimethylpentanamide;hydrochloride
PubChem CID119666304
Molecular FormulaC14H31ClN2O
Molecular Weight278.87 g/mol
Exact Mass278.21
IUPAC NameN-(1-aminohexan-2-yl)-2,2,4-trimethylpentanamide;hydrochloride
SMILESCCCCC(CN)NC(=O)C(C)(C)CC(C)C.Cl
InChIInChI=1S/C14H30N2O.ClH/c1-6-7-8-12(10-15)16-13(17)14(4,5)9-11(2)3;/h11-12H,6-10,15H2,1-5H3,(H,16,17);1H
InChIKeyXWZAWJLMNQKBRU-UHFFFAOYSA-N
XLogP3.11
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.87
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(1-aminohexan-2-yl)-2-methylpentanamide
CID 122080967
N-[(2S)-1-aminohexan-2-yl]-2,3-dimethylbutanamide
CID 171627931
N-(1-aminohexan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112603533
N-(1-aminohexan-2-yl)-2-methyl-2-thiophen-2-ylpropanamide;hydrochloride
CID 119667782
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-methylpentanamide
CID 114875681
N-(1-aminohexan-2-yl)-3-methoxy-3-methylbutanamide
CID 103021601
N-(1-aminohexan-2-yl)-2-(2-fluorophenyl)-2-methylpropanamide
CID 119666719
N-(1-aminohexan-2-yl)-2-butylsulfanylpropanamide
CID 119666195
N-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]-3,3-dimethylbutanamide
CID 119666894
2-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]sulfanylacetamide;hydrochloride
CID 119668001

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-2,2,4-trimethylpentanamide;hydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-2,2,4-trimethylpentanamide;hydrochloride (CID 119666304) is N-(1-aminohexan-2-yl)-2,2,4-trimethylpentanamide;hydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-2,2,4-trimethylpentanamide;hydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-2,2,4-trimethylpentanamide;hydrochloride is CCCCC(CN)NC(=O)C(C)(C)CC(C)C.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-2,2,4-trimethylpentanamide;hydrochloride?
The InChIKey is XWZAWJLMNQKBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O.ClH/c1-6-7-8-12(10-15)16-13(17)14(4,5)9-11(2)3;/h11-12H,6-10,15H2,1-5H3,(H,16,17);1H.
What are the key properties of N-(1-aminohexan-2-yl)-2,2,4-trimethylpentanamide;hydrochloride?
N-(1-aminohexan-2-yl)-2,2,4-trimethylpentanamide;hydrochloride has a molecular weight of 278.87 g/mol, XLogP of 3.11, 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)-2,2,4-trimethylpentanamide;hydrochloride is sourced from PubChem (CID 119666304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).