1-cyclopropyl-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine

C13H23N3 — CID 66130194

IUPAC1-cyclopropyl-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine
SMILESCCCn1cncc1CNC(C)CC1CC1
InChIInChI=1S/C13H23N3/c1-3-6-16-10-14-8-13(16)9-15-11(2)7-12-4-5-12/h8,10-12,15H,3-7,9H2,1-2H3
InChIKeyPHOIFRYHRYIFLD-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.57
Rot. Bonds7

About 1-cyclopropyl-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine

1-cyclopropyl-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine (PubChem CID 66130194) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine
PubChem CID66130194
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-cyclopropyl-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine
SMILESCCCn1cncc1CNC(C)CC1CC1
InChIInChI=1S/C13H23N3/c1-3-6-16-10-14-8-13(16)9-15-11(2)7-12-4-5-12/h8,10-12,15H,3-7,9H2,1-2H3
InChIKeyPHOIFRYHRYIFLD-UHFFFAOYSA-N
XLogP2.57
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-[(3-propylimidazol-4-yl)methyl]hexan-2-amine
CID 66133962
1-phenyl-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine
CID 66130984
1-morpholin-4-yl-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine
CID 66129529
1-imidazol-1-yl-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine
CID 66131355
4-propyl-N-[(3-propylimidazol-4-yl)methyl]cyclohexan-1-amine
CID 66129378
1-(4-fluorophenyl)-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine
CID 66130587
4-methyl-3-[(3-propylimidazol-4-yl)methylamino]pentan-1-ol
CID 106348786
N-[[3-[(4-methylcyclohexyl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 66150150
(1S)-N-[(3-propylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 81405734
N-[(3-propylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 66133954
1-(4-methylphenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 66130561
(1S)-1-(4-bromophenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 81359377

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine?
The IUPAC name of 1-cyclopropyl-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine (CID 66130194) is 1-cyclopropyl-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine.
What is the SMILES notation for 1-cyclopropyl-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine?
The canonical SMILES for 1-cyclopropyl-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine is CCCn1cncc1CNC(C)CC1CC1.
What is the InChIKey of 1-cyclopropyl-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine?
The InChIKey is PHOIFRYHRYIFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-3-6-16-10-14-8-13(16)9-15-11(2)7-12-4-5-12/h8,10-12,15H,3-7,9H2,1-2H3.
What are the key properties of 1-cyclopropyl-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine?
1-cyclopropyl-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine has a molecular weight of 221.35 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 66130194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).