N-(3-amino-4-methylpentyl)-N,2,2-trimethylbutanamide

C13H28N2O — CID 81484329

IUPACN-(3-amino-4-methylpentyl)-N,2,2-trimethylbutanamide
SMILESCCC(C)(C)C(=O)N(C)CCC(N)C(C)C
InChIInChI=1S/C13H28N2O/c1-7-13(4,5)12(16)15(6)9-8-11(14)10(2)3/h10-11H,7-9,14H2,1-6H3
InChIKeyIFEIFDJTDFTCJL-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.25
Rot. Bonds6

About N-(3-amino-4-methylpentyl)-N,2,2-trimethylbutanamide

N-(3-amino-4-methylpentyl)-N,2,2-trimethylbutanamide (PubChem CID 81484329) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-N,2,2-trimethylbutanamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-N,2,2-trimethylbutanamide
PubChem CID81484329
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN-(3-amino-4-methylpentyl)-N,2,2-trimethylbutanamide
SMILESCCC(C)(C)C(=O)N(C)CCC(N)C(C)C
InChIInChI=1S/C13H28N2O/c1-7-13(4,5)12(16)15(6)9-8-11(14)10(2)3/h10-11H,7-9,14H2,1-6H3
InChIKeyIFEIFDJTDFTCJL-UHFFFAOYSA-N
XLogP2.25
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-hydroxybutyl)-N,2,2-trimethylbutanamide
CID 111695856
N-(3-amino-4-methylpentyl)-2,2,2-trifluoro-N-methylacetamide
CID 81483985
N-(3-amino-4-methylpentyl)-N-methylpropanamide
CID 81484424
N-(3-amino-4-methylpentyl)-N-methylpentanamide;hydrochloride
CID 119657793
N-(3-amino-4-methylpentyl)-N,2-dimethylbutanamide;hydrochloride
CID 119657234
N-(3-amino-4-methylpentyl)-N-methylhexanamide;hydrochloride
CID 119658936
N-(3-amino-4-methylpentyl)-3-methoxy-N,3-dimethylbutanamide
CID 103021642
N-(3-amino-4-methylpentyl)-2-(diethylamino)-N-methylacetamide;dihydrochloride
CID 119657669
N-(3-amino-4-methylpentyl)-3-methoxy-N-methylpropanamide
CID 81485025
N-[4-[(3-amino-4-methylpentyl)-methylamino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 119659545
N-[1-[(3-amino-4-methylpentyl)-methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride
CID 119660529
N-(3-amino-4-methylpentyl)-2-methoxy-N-methylpropanamide
CID 115737860

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-N,2,2-trimethylbutanamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-N,2,2-trimethylbutanamide (CID 81484329) is N-(3-amino-4-methylpentyl)-N,2,2-trimethylbutanamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-N,2,2-trimethylbutanamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-N,2,2-trimethylbutanamide is CCC(C)(C)C(=O)N(C)CCC(N)C(C)C.
What is the InChIKey of N-(3-amino-4-methylpentyl)-N,2,2-trimethylbutanamide?
The InChIKey is IFEIFDJTDFTCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-7-13(4,5)12(16)15(6)9-8-11(14)10(2)3/h10-11H,7-9,14H2,1-6H3.
What are the key properties of N-(3-amino-4-methylpentyl)-N,2,2-trimethylbutanamide?
N-(3-amino-4-methylpentyl)-N,2,2-trimethylbutanamide has a molecular weight of 228.38 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-N,2,2-trimethylbutanamide is sourced from PubChem (CID 81484329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).