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

C13H21N5 — CID 66131355

IUPAC1-imidazol-1-yl-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine
SMILESCCCn1cncc1CNC(C)Cn1ccnc1
InChIInChI=1S/C13H21N5/c1-3-5-18-11-15-7-13(18)8-16-12(2)9-17-6-4-14-10-17/h4,6-7,10-12,16H,3,5,8-9H2,1-2H3
InChIKeyLSBBKUOVEYWWMX-UHFFFAOYSA-N
MW247.35 g/mol
LogP1.67
Rot. Bonds7

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

1-imidazol-1-yl-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine (PubChem CID 66131355) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 1-imidazol-1-yl-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-imidazol-1-yl-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine
PubChem CID66131355
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name1-imidazol-1-yl-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine
SMILESCCCn1cncc1CNC(C)Cn1ccnc1
InChIInChI=1S/C13H21N5/c1-3-5-18-11-15-7-13(18)8-16-12(2)9-17-6-4-14-10-17/h4,6-7,10-12,16H,3,5,8-9H2,1-2H3
InChIKeyLSBBKUOVEYWWMX-UHFFFAOYSA-N
XLogP1.67
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-[(3-propylimidazol-4-yl)methyl]hexan-2-amine
CID 66133962
1-morpholin-4-yl-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine
CID 66129529
1-imidazol-1-yl-N-[(1-propylpyrrol-3-yl)methyl]propan-2-amine
CID 66415546
1-cyclopropyl-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine
CID 66130194
4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]phenol
CID 43435560
1-phenyl-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine
CID 66130984
(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-fluorophenyl)-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine
CID 66130587
1-imidazol-1-yl-N-[(4-propan-2-ylphenyl)methyl]propan-2-amine
CID 43435582
N-(1-imidazol-1-ylpropan-2-yl)pentan-1-amine
CID 43749599
4-methyl-3-[(3-propylimidazol-4-yl)methylamino]pentan-1-ol
CID 106348786

Frequently Asked Questions

What is the IUPAC name of 1-imidazol-1-yl-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine?
The IUPAC name of 1-imidazol-1-yl-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine (CID 66131355) is 1-imidazol-1-yl-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine.
What is the SMILES notation for 1-imidazol-1-yl-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine?
The canonical SMILES for 1-imidazol-1-yl-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine is CCCn1cncc1CNC(C)Cn1ccnc1.
What is the InChIKey of 1-imidazol-1-yl-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine?
The InChIKey is LSBBKUOVEYWWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-3-5-18-11-15-7-13(18)8-16-12(2)9-17-6-4-14-10-17/h4,6-7,10-12,16H,3,5,8-9H2,1-2H3.
What are the key properties of 1-imidazol-1-yl-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine?
1-imidazol-1-yl-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine has a molecular weight of 247.35 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazol-1-yl-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 66131355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).