2-amino-3-methyl-N-[(2-methylcyclopropyl)methyl]pentanamide

C11H22N2O — CID 115738399

IUPAC2-amino-3-methyl-N-[(2-methylcyclopropyl)methyl]pentanamide
SMILESCCC(C)C(N)C(=O)NCC1CC1C
InChIInChI=1S/C11H22N2O/c1-4-7(2)10(12)11(14)13-6-9-5-8(9)3/h7-10H,4-6,12H2,1-3H3,(H,13,14)
InChIKeyVIJVHMYNUXHCTD-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.13
Rot. Bonds5

About 2-amino-3-methyl-N-[(2-methylcyclopropyl)methyl]pentanamide

2-amino-3-methyl-N-[(2-methylcyclopropyl)methyl]pentanamide (PubChem CID 115738399) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-amino-3-methyl-N-[(2-methylcyclopropyl)methyl]pentanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-[(2-methylcyclopropyl)methyl]pentanamide
PubChem CID115738399
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2-amino-3-methyl-N-[(2-methylcyclopropyl)methyl]pentanamide
SMILESCCC(C)C(N)C(=O)NCC1CC1C
InChIInChI=1S/C11H22N2O/c1-4-7(2)10(12)11(14)13-6-9-5-8(9)3/h7-10H,4-6,12H2,1-3H3,(H,13,14)
InChIKeyVIJVHMYNUXHCTD-UHFFFAOYSA-N
XLogP1.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-2-amino-3-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide
CID 79363377
(2S)-2-amino-3-methyl-N-(thian-4-ylmethyl)pentanamide
CID 67292005
(2S)-2-amino-N-ethyl-3-methylpentanamide
CID 61172974
(2S)-2-amino-3-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pentanamide
CID 61173579
2-amino-3-methyl-N-[(2-propan-2-yloxan-3-yl)methyl]pentanamide;hydrochloride
CID 119819588
2-amino-N-[(1,1-dioxothiolan-3-yl)methyl]-3-methylpentanamide
CID 54915645
(2S)-2-amino-N,3-dimethyl-N-[(2-methylcyclopropyl)methyl]pentanamide
CID 63865558
(2S)-2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methylpentanamide
CID 61173867
2-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]-3-methylpentanamide;hydrochloride
CID 119821615
(2S)-2-amino-3-methyl-N-(oxolan-2-ylmethyl)pentanamide
CID 61174562
2-amino-N-(2-cyclopropylpropyl)-3-methylpentanamide
CID 115738557
(2S)-2-amino-N-(1,4-dithian-2-ylmethyl)-3-methylpentanamide
CID 103833140

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-[(2-methylcyclopropyl)methyl]pentanamide?
The IUPAC name of 2-amino-3-methyl-N-[(2-methylcyclopropyl)methyl]pentanamide (CID 115738399) is 2-amino-3-methyl-N-[(2-methylcyclopropyl)methyl]pentanamide.
What is the SMILES notation for 2-amino-3-methyl-N-[(2-methylcyclopropyl)methyl]pentanamide?
The canonical SMILES for 2-amino-3-methyl-N-[(2-methylcyclopropyl)methyl]pentanamide is CCC(C)C(N)C(=O)NCC1CC1C.
What is the InChIKey of 2-amino-3-methyl-N-[(2-methylcyclopropyl)methyl]pentanamide?
The InChIKey is VIJVHMYNUXHCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-4-7(2)10(12)11(14)13-6-9-5-8(9)3/h7-10H,4-6,12H2,1-3H3,(H,13,14).
What are the key properties of 2-amino-3-methyl-N-[(2-methylcyclopropyl)methyl]pentanamide?
2-amino-3-methyl-N-[(2-methylcyclopropyl)methyl]pentanamide has a molecular weight of 198.31 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-[(2-methylcyclopropyl)methyl]pentanamide is sourced from PubChem (CID 115738399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).