3-amino-N-hexan-3-yl-2,2,3-trimethylbutanamide

C13H28N2O — CID 65266746

IUPAC3-amino-N-hexan-3-yl-2,2,3-trimethylbutanamide
SMILESCCCC(CC)NC(=O)C(C)(C)C(C)(C)N
InChIInChI=1S/C13H28N2O/c1-7-9-10(8-2)15-11(16)12(3,4)13(5,6)14/h10H,7-9,14H2,1-6H3,(H,15,16)
InChIKeyMQCXHHSHOYCPTG-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.44
Rot. Bonds6

About 3-amino-N-hexan-3-yl-2,2,3-trimethylbutanamide

3-amino-N-hexan-3-yl-2,2,3-trimethylbutanamide (PubChem CID 65266746) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 3-amino-N-hexan-3-yl-2,2,3-trimethylbutanamide.

Molecular Properties

Compound Name3-amino-N-hexan-3-yl-2,2,3-trimethylbutanamide
PubChem CID65266746
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name3-amino-N-hexan-3-yl-2,2,3-trimethylbutanamide
SMILESCCCC(CC)NC(=O)C(C)(C)C(C)(C)N
InChIInChI=1S/C13H28N2O/c1-7-9-10(8-2)15-11(16)12(3,4)13(5,6)14/h10H,7-9,14H2,1-6H3,(H,15,16)
InChIKeyMQCXHHSHOYCPTG-UHFFFAOYSA-N
XLogP2.44
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-aminophenyl)-N-hexan-3-yl-2-methylpropanamide
CID 80556865
hexan-3-ylurea;molecular hydrogen
CID 143768672
(2S)-2-amino-N-hexan-3-ylpentanamide
CID 107569552
3-amino-N-[(2R)-1-hydroxypropan-2-yl]-2,2,3-trimethylbutanamide
CID 107218704
4-[(3-amino-2,2,3-trimethylbutanoyl)amino]pentanoic acid
CID 65267384
methyl 2-(hexan-3-ylamino)-2-oxoacetate
CID 112617114
2-(ethylamino)-2-methyl-N-octan-4-ylpropanamide
CID 114138368
1-butyl-3-hexan-3-ylurea
CID 115596662
(2R)-2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-3-hydroxypropanoic acid
CID 80750707
2-amino-2-ethyl-N-(1-methoxypentan-2-yl)butanamide
CID 79813031
7-amino-N-hexan-3-ylheptanamide;hydrochloride
CID 119757664
2-amino-N-(1-aminohexan-2-yl)-2-methylpentanamide
CID 122080967

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-hexan-3-yl-2,2,3-trimethylbutanamide?
The IUPAC name of 3-amino-N-hexan-3-yl-2,2,3-trimethylbutanamide (CID 65266746) is 3-amino-N-hexan-3-yl-2,2,3-trimethylbutanamide.
What is the SMILES notation for 3-amino-N-hexan-3-yl-2,2,3-trimethylbutanamide?
The canonical SMILES for 3-amino-N-hexan-3-yl-2,2,3-trimethylbutanamide is CCCC(CC)NC(=O)C(C)(C)C(C)(C)N.
What is the InChIKey of 3-amino-N-hexan-3-yl-2,2,3-trimethylbutanamide?
The InChIKey is MQCXHHSHOYCPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-7-9-10(8-2)15-11(16)12(3,4)13(5,6)14/h10H,7-9,14H2,1-6H3,(H,15,16).
What are the key properties of 3-amino-N-hexan-3-yl-2,2,3-trimethylbutanamide?
3-amino-N-hexan-3-yl-2,2,3-trimethylbutanamide has a molecular weight of 228.38 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-hexan-3-yl-2,2,3-trimethylbutanamide is sourced from PubChem (CID 65266746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).