3-amino-N-cyclopropyl-3-methyl-N-[(1-methylimidazol-2-yl)methyl]butanamide

C13H22N4O — CID 64677936

IUPAC3-amino-N-cyclopropyl-3-methyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
SMILESCn1ccnc1CN(C(=O)CC(C)(C)N)C1CC1
InChIInChI=1S/C13H22N4O/c1-13(2,14)8-12(18)17(10-4-5-10)9-11-15-6-7-16(11)3/h6-7,10H,4-5,8-9,14H2,1-3H3
InChIKeyZFMSEVYAZDLODN-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.04
Rot. Bonds5

About 3-amino-N-cyclopropyl-3-methyl-N-[(1-methylimidazol-2-yl)methyl]butanamide

3-amino-N-cyclopropyl-3-methyl-N-[(1-methylimidazol-2-yl)methyl]butanamide (PubChem CID 64677936) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-3-methyl-N-[(1-methylimidazol-2-yl)methyl]butanamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-3-methyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
PubChem CID64677936
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name3-amino-N-cyclopropyl-3-methyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
SMILESCn1ccnc1CN(C(=O)CC(C)(C)N)C1CC1
InChIInChI=1S/C13H22N4O/c1-13(2,14)8-12(18)17(10-4-5-10)9-11-15-6-7-16(11)3/h6-7,10H,4-5,8-9,14H2,1-3H3
InChIKeyZFMSEVYAZDLODN-UHFFFAOYSA-N
XLogP1.04
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[cyclopropyl-[(1-methylimidazol-2-yl)methyl]amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302424
2-amino-N-cyclopropyl-2-ethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
CID 79813594
2-amino-N-cyclopropyl-3,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
CID 76895168
2-amino-N-cyclopropyl-4-methyl-N-[(1-methylimidazol-2-yl)methyl]pentanamide
CID 54871592
2-amino-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115290167
3-amino-N-cyclopropyl-4-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 60946703
N-cyclopropyl-2-(3-methylazetidin-3-yl)oxy-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 102655899
N-cyclopropyl-5-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 3710721
3,5-dibromo-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 103907950
(2R)-2-cyclohexyl-N-cyclopropyl-2-hydroxy-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 90652770
3-amino-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 60946346
3-amino-N-cyclopropyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 61108887

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-3-methyl-N-[(1-methylimidazol-2-yl)methyl]butanamide?
The IUPAC name of 3-amino-N-cyclopropyl-3-methyl-N-[(1-methylimidazol-2-yl)methyl]butanamide (CID 64677936) is 3-amino-N-cyclopropyl-3-methyl-N-[(1-methylimidazol-2-yl)methyl]butanamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-3-methyl-N-[(1-methylimidazol-2-yl)methyl]butanamide?
The canonical SMILES for 3-amino-N-cyclopropyl-3-methyl-N-[(1-methylimidazol-2-yl)methyl]butanamide is Cn1ccnc1CN(C(=O)CC(C)(C)N)C1CC1.
What is the InChIKey of 3-amino-N-cyclopropyl-3-methyl-N-[(1-methylimidazol-2-yl)methyl]butanamide?
The InChIKey is ZFMSEVYAZDLODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-13(2,14)8-12(18)17(10-4-5-10)9-11-15-6-7-16(11)3/h6-7,10H,4-5,8-9,14H2,1-3H3.
What are the key properties of 3-amino-N-cyclopropyl-3-methyl-N-[(1-methylimidazol-2-yl)methyl]butanamide?
3-amino-N-cyclopropyl-3-methyl-N-[(1-methylimidazol-2-yl)methyl]butanamide has a molecular weight of 250.35 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-3-methyl-N-[(1-methylimidazol-2-yl)methyl]butanamide is sourced from PubChem (CID 64677936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).