2-(aminomethyl)-4,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pentanamide

C13H24N4O — CID 107472140

IUPAC2-(aminomethyl)-4,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pentanamide
SMILESCn1ccnc1CNC(=O)C(CN)CC(C)(C)C
InChIInChI=1S/C13H24N4O/c1-13(2,3)7-10(8-14)12(18)16-9-11-15-5-6-17(11)4/h5-6,10H,7-9,14H2,1-4H3,(H,16,18)
InChIKeyNIMBXIQRSUQWRH-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.05
Rot. Bonds5

About 2-(aminomethyl)-4,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pentanamide

2-(aminomethyl)-4,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pentanamide (PubChem CID 107472140) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-(aminomethyl)-4,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-4,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pentanamide
PubChem CID107472140
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name2-(aminomethyl)-4,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pentanamide
SMILESCn1ccnc1CNC(=O)C(CN)CC(C)(C)C
InChIInChI=1S/C13H24N4O/c1-13(2,3)7-10(8-14)12(18)16-9-11-15-5-6-17(11)4/h5-6,10H,7-9,14H2,1-4H3,(H,16,18)
InChIKeyNIMBXIQRSUQWRH-UHFFFAOYSA-N
XLogP1.05
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 63293672
2-(aminomethyl)-N-[(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide
CID 63293627
2-amino-3,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
CID 76994588
2-(aminomethyl)-N,4,4-trimethyl-N-[(1-methylimidazol-2-yl)methyl]pentanamide
CID 107471639
(2R)-2-hydroxy-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 130637454
(2R)-2-amino-3-methyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
CID 79013544
3-amino-2,2,3-trimethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
CID 65266755
(1-methylimidazol-2-yl)methylcarbamic acid
CID 89157603
2-methoxy-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 115610745
3-chloro-2,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 63666126
2-[(1-methylimidazol-2-yl)methylamino]-2-oxoacetic acid
CID 63292500
2-methyl-2-[(1-methylimidazol-2-yl)methylamino]propanamide
CID 61220570

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pentanamide?
The IUPAC name of 2-(aminomethyl)-4,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pentanamide (CID 107472140) is 2-(aminomethyl)-4,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pentanamide.
What is the SMILES notation for 2-(aminomethyl)-4,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pentanamide?
The canonical SMILES for 2-(aminomethyl)-4,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pentanamide is Cn1ccnc1CNC(=O)C(CN)CC(C)(C)C.
What is the InChIKey of 2-(aminomethyl)-4,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pentanamide?
The InChIKey is NIMBXIQRSUQWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-13(2,3)7-10(8-14)12(18)16-9-11-15-5-6-17(11)4/h5-6,10H,7-9,14H2,1-4H3,(H,16,18).
What are the key properties of 2-(aminomethyl)-4,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pentanamide?
2-(aminomethyl)-4,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pentanamide has a molecular weight of 252.36 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pentanamide is sourced from PubChem (CID 107472140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).