N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylpentanamide

C13H28N2O — CID 114875694

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-3-methylpentanamide
SMILESCCC(C)CC(=O)NC(C)(CN)CC(C)C
InChIInChI=1S/C13H28N2O/c1-6-11(4)7-12(16)15-13(5,9-14)8-10(2)3/h10-11H,6-9,14H2,1-5H3,(H,15,16)
InChIKeySOSSTNBJYYTAFH-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.30
Rot. Bonds7

About N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylpentanamide

N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylpentanamide (PubChem CID 114875694) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylpentanamide.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-3-methylpentanamide
PubChem CID114875694
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-3-methylpentanamide
SMILESCCC(C)CC(=O)NC(C)(CN)CC(C)C
InChIInChI=1S/C13H28N2O/c1-6-11(4)7-12(16)15-13(5,9-14)8-10(2)3/h10-11H,6-9,14H2,1-5H3,(H,15,16)
InChIKeySOSSTNBJYYTAFH-UHFFFAOYSA-N
XLogP2.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Valeramide, N-(2-(dimethylamino)ethyl)-2-propyl-
CID 200807
Ac-leu-nhme
CID 6950977
Glycylleucinamid
CID 6994313
N-Cyclopentyl L-isoleucinamide
CID 24703639
Valeramide, N-(2-(diethylamino)ethyl)-2-propyl-
CID 200808
(2S,3S)-2-amino-N-cyclopentyl-3-methylpentanamide
CID 10821834
N-acetyl-L-isoleucine-L-leucinamide
CID 139590256
AC-Leu-NH2
CID 140111
Pentanamide, 2-(acetylamino)-N,4-dimethyl-
CID 4691503
(2S)-N-acetyl-2-amino-4-methylpentanamide
CID 87995317
(2S)-2-amino-N-[2-(dimethylamino)ethyl]-4-methylpentanamide
CID 22690995
1-amino-N-ethylcyclopentane-1-carboxamide
CID 60866844

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylpentanamide?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylpentanamide (CID 114875694) is N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylpentanamide.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylpentanamide?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylpentanamide is CCC(C)CC(=O)NC(C)(CN)CC(C)C.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylpentanamide?
The InChIKey is SOSSTNBJYYTAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-6-11(4)7-12(16)15-13(5,9-14)8-10(2)3/h10-11H,6-9,14H2,1-5H3,(H,15,16).
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylpentanamide?
N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylpentanamide has a molecular weight of 228.38 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylpentanamide is sourced from PubChem (CID 114875694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).