N-(3-aminopropyl)-3-(4,5-dimethylimidazol-1-yl)-N-methylpropanamide

C12H22N4O — CID 55064450

IUPACN-(3-aminopropyl)-3-(4,5-dimethylimidazol-1-yl)-N-methylpropanamide
SMILESCc1ncn(CCC(=O)N(C)CCCN)c1C
InChIInChI=1S/C12H22N4O/c1-10-11(2)16(9-14-10)8-5-12(17)15(3)7-4-6-13/h9H,4-8,13H2,1-3H3
InChIKeyKDKIVXCBMKONQQ-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.70
Rot. Bonds6

About N-(3-aminopropyl)-3-(4,5-dimethylimidazol-1-yl)-N-methylpropanamide

N-(3-aminopropyl)-3-(4,5-dimethylimidazol-1-yl)-N-methylpropanamide (PubChem CID 55064450) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-(4,5-dimethylimidazol-1-yl)-N-methylpropanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-(4,5-dimethylimidazol-1-yl)-N-methylpropanamide
PubChem CID55064450
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN-(3-aminopropyl)-3-(4,5-dimethylimidazol-1-yl)-N-methylpropanamide
SMILESCc1ncn(CCC(=O)N(C)CCCN)c1C
InChIInChI=1S/C12H22N4O/c1-10-11(2)16(9-14-10)8-5-12(17)15(3)7-4-6-13/h9H,4-8,13H2,1-3H3
InChIKeyKDKIVXCBMKONQQ-UHFFFAOYSA-N
XLogP0.70
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4,5-dimethyl-1H-imidazol-1-yl)ethyl]-3-(2-ethyl-1H-imidazol-1-yl)propanamide
CID 90647467
(2S)-2-acetamido-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]pentanamide
CID 100066644
N-[2-(5-methyl-1-propyl-1H-imidazol-2-yl)ethyl]propanamide
CID 124057663
2-[5-(Aminomethyl)-4-methylimidazol-1-yl]-4,4,4-trifluorobutanamide
CID 21224533
2-[5-(aminomethyl)-4-methylimidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 53685528
N-(1-(4,5-dicyano-1H-imidazol-1-yl)-1-oxopropan-2-yl)acetamide
CID 154585660
2-(4,5-dimethylimidazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 56789699
N-[3-(4,5-dicyanoimidazol-1-yl)propyl]-2,2,2-trifluoroacetamide
CID 86794669
2-(4,5-dimethylimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 115616733
N-methyl-3-{methyl[(4-methyl-1H-imidazol-5-yl)methyl]amino}butanamide
CID 50954861
2-methyl-1-[(4-methyl-1H-imidazol-5-yl)methyl]-1,4-diazepan-5-one
CID 50956336
N,N-dimethyl-2-{methyl[(4-methyl-1H-imidazol-5-yl)methyl]amino}propanamide
CID 50982626

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3-(4,5-dimethylimidazol-1-yl)-N-methylpropanamide?
The IUPAC name of N-(3-aminopropyl)-3-(4,5-dimethylimidazol-1-yl)-N-methylpropanamide (CID 55064450) is N-(3-aminopropyl)-3-(4,5-dimethylimidazol-1-yl)-N-methylpropanamide.
What is the SMILES notation for N-(3-aminopropyl)-3-(4,5-dimethylimidazol-1-yl)-N-methylpropanamide?
The canonical SMILES for N-(3-aminopropyl)-3-(4,5-dimethylimidazol-1-yl)-N-methylpropanamide is Cc1ncn(CCC(=O)N(C)CCCN)c1C.
What is the InChIKey of N-(3-aminopropyl)-3-(4,5-dimethylimidazol-1-yl)-N-methylpropanamide?
The InChIKey is KDKIVXCBMKONQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-10-11(2)16(9-14-10)8-5-12(17)15(3)7-4-6-13/h9H,4-8,13H2,1-3H3.
What are the key properties of N-(3-aminopropyl)-3-(4,5-dimethylimidazol-1-yl)-N-methylpropanamide?
N-(3-aminopropyl)-3-(4,5-dimethylimidazol-1-yl)-N-methylpropanamide has a molecular weight of 238.33 g/mol, XLogP of 0.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3-(4,5-dimethylimidazol-1-yl)-N-methylpropanamide is sourced from PubChem (CID 55064450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).