2-amino-N-cyclopropyl-4-methyl-N-[(1-methylimidazol-2-yl)methyl]pentanamide

C14H24N4O — CID 54871592

IUPAC2-amino-N-cyclopropyl-4-methyl-N-[(1-methylimidazol-2-yl)methyl]pentanamide
SMILESCC(C)CC(N)C(=O)N(Cc1nccn1C)C1CC1
InChIInChI=1S/C14H24N4O/c1-10(2)8-12(15)14(19)18(11-4-5-11)9-13-16-6-7-17(13)3/h6-7,10-12H,4-5,8-9,15H2,1-3H3
InChIKeySMSNMKWUHPHENS-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.28
Rot. Bonds6

About 2-amino-N-cyclopropyl-4-methyl-N-[(1-methylimidazol-2-yl)methyl]pentanamide

2-amino-N-cyclopropyl-4-methyl-N-[(1-methylimidazol-2-yl)methyl]pentanamide (PubChem CID 54871592) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-amino-N-cyclopropyl-4-methyl-N-[(1-methylimidazol-2-yl)methyl]pentanamide.

Molecular Properties

Compound Name2-amino-N-cyclopropyl-4-methyl-N-[(1-methylimidazol-2-yl)methyl]pentanamide
PubChem CID54871592
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name2-amino-N-cyclopropyl-4-methyl-N-[(1-methylimidazol-2-yl)methyl]pentanamide
SMILESCC(C)CC(N)C(=O)N(Cc1nccn1C)C1CC1
InChIInChI=1S/C14H24N4O/c1-10(2)8-12(15)14(19)18(11-4-5-11)9-13-16-6-7-17(13)3/h6-7,10-12H,4-5,8-9,15H2,1-3H3
InChIKeySMSNMKWUHPHENS-UHFFFAOYSA-N
XLogP1.28
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-cyclopropyl-3,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
CID 76895168
2-(azetidin-3-yl)-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 116676486
2-amino-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115290167
(2R)-2-cyclohexyl-N-cyclopropyl-2-hydroxy-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 90652770
(2S)-2-amino-N-cyclopropyl-4-methyl-N-(pyridin-2-ylmethyl)pentanamide
CID 61165416
2-amino-N-cyclopropyl-2-ethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
CID 79813594
3-amino-N-cyclopropyl-3-methyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
CID 64677936
N-cyclopropyl-2-(2,5-dichlorophenyl)sulfanyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 47059362
(2S)-N-cyclopropyl-2-(2,5-dimethylphenoxy)-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 94600634
(2S)-2-amino-N-cyclopropyl-4-methyl-N-[(4-methylphenyl)methyl]pentanamide
CID 61165448
N-cyclopropyl-5-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 3710721
4-[cyclopropyl-[(1-methylimidazol-2-yl)methyl]amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302424

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclopropyl-4-methyl-N-[(1-methylimidazol-2-yl)methyl]pentanamide?
The IUPAC name of 2-amino-N-cyclopropyl-4-methyl-N-[(1-methylimidazol-2-yl)methyl]pentanamide (CID 54871592) is 2-amino-N-cyclopropyl-4-methyl-N-[(1-methylimidazol-2-yl)methyl]pentanamide.
What is the SMILES notation for 2-amino-N-cyclopropyl-4-methyl-N-[(1-methylimidazol-2-yl)methyl]pentanamide?
The canonical SMILES for 2-amino-N-cyclopropyl-4-methyl-N-[(1-methylimidazol-2-yl)methyl]pentanamide is CC(C)CC(N)C(=O)N(Cc1nccn1C)C1CC1.
What is the InChIKey of 2-amino-N-cyclopropyl-4-methyl-N-[(1-methylimidazol-2-yl)methyl]pentanamide?
The InChIKey is SMSNMKWUHPHENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-10(2)8-12(15)14(19)18(11-4-5-11)9-13-16-6-7-17(13)3/h6-7,10-12H,4-5,8-9,15H2,1-3H3.
What are the key properties of 2-amino-N-cyclopropyl-4-methyl-N-[(1-methylimidazol-2-yl)methyl]pentanamide?
2-amino-N-cyclopropyl-4-methyl-N-[(1-methylimidazol-2-yl)methyl]pentanamide has a molecular weight of 264.37 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclopropyl-4-methyl-N-[(1-methylimidazol-2-yl)methyl]pentanamide is sourced from PubChem (CID 54871592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).