N,N,4-trimethyl-2-[(1-methylimidazol-2-yl)methylamino]pentanamide

C13H24N4O — CID 62357240

IUPACN,N,4-trimethyl-2-[(1-methylimidazol-2-yl)methylamino]pentanamide
SMILESCC(C)CC(NCc1nccn1C)C(=O)N(C)C
InChIInChI=1S/C13H24N4O/c1-10(2)8-11(13(18)16(3)4)15-9-12-14-6-7-17(12)5/h6-7,10-11,15H,8-9H2,1-5H3
InChIKeyBVIBRBRPPIIEHE-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.01
Rot. Bonds6

About N,N,4-trimethyl-2-[(1-methylimidazol-2-yl)methylamino]pentanamide

N,N,4-trimethyl-2-[(1-methylimidazol-2-yl)methylamino]pentanamide (PubChem CID 62357240) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N,N,4-trimethyl-2-[(1-methylimidazol-2-yl)methylamino]pentanamide.

Molecular Properties

Compound NameN,N,4-trimethyl-2-[(1-methylimidazol-2-yl)methylamino]pentanamide
PubChem CID62357240
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN,N,4-trimethyl-2-[(1-methylimidazol-2-yl)methylamino]pentanamide
SMILESCC(C)CC(NCc1nccn1C)C(=O)N(C)C
InChIInChI=1S/C13H24N4O/c1-10(2)8-11(13(18)16(3)4)15-9-12-14-6-7-17(12)5/h6-7,10-11,15H,8-9H2,1-5H3
InChIKeyBVIBRBRPPIIEHE-UHFFFAOYSA-N
XLogP1.01
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-4-methyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]amino]pentanoic acid
CID 78923453
N-ethyl-2-[(1-methylimidazol-2-yl)methylamino]propanamide
CID 60696120
(1-methylimidazol-2-yl)methylcarbamic acid
CID 89157603
(2R)-2-hydroxy-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 130637454
3-amino-2-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 63293672
N,N-dimethyl-2-[(1-methylimidazol-2-yl)amino]propanamide
CID 62133303
2-[(1-methylimidazol-2-yl)methylamino]-2-oxoacetic acid
CID 63292500
2-methoxy-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 115610745
methyl 2-methyl-3-[(1-methylimidazol-2-yl)methylamino]propanoate
CID 63295782
N-[(1-methylimidazol-2-yl)methyl]-3-(propan-2-ylamino)propanamide
CID 63293461
N-(2-methylbutan-2-yl)-2-[(1-methylimidazol-2-yl)methylamino]propanamide
CID 63295598
N-[(1-methylimidazol-2-yl)methyl]pentan-3-amine
CID 43088152

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-2-[(1-methylimidazol-2-yl)methylamino]pentanamide?
The IUPAC name of N,N,4-trimethyl-2-[(1-methylimidazol-2-yl)methylamino]pentanamide (CID 62357240) is N,N,4-trimethyl-2-[(1-methylimidazol-2-yl)methylamino]pentanamide.
What is the SMILES notation for N,N,4-trimethyl-2-[(1-methylimidazol-2-yl)methylamino]pentanamide?
The canonical SMILES for N,N,4-trimethyl-2-[(1-methylimidazol-2-yl)methylamino]pentanamide is CC(C)CC(NCc1nccn1C)C(=O)N(C)C.
What is the InChIKey of N,N,4-trimethyl-2-[(1-methylimidazol-2-yl)methylamino]pentanamide?
The InChIKey is BVIBRBRPPIIEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-10(2)8-11(13(18)16(3)4)15-9-12-14-6-7-17(12)5/h6-7,10-11,15H,8-9H2,1-5H3.
What are the key properties of N,N,4-trimethyl-2-[(1-methylimidazol-2-yl)methylamino]pentanamide?
N,N,4-trimethyl-2-[(1-methylimidazol-2-yl)methylamino]pentanamide has a molecular weight of 252.36 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-2-[(1-methylimidazol-2-yl)methylamino]pentanamide is sourced from PubChem (CID 62357240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).