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

C14H22N4 — CID 66415546

IUPAC1-imidazol-1-yl-N-[(1-propylpyrrol-3-yl)methyl]propan-2-amine
SMILESCCCn1ccc(CNC(C)Cn2ccnc2)c1
InChIInChI=1S/C14H22N4/c1-3-6-17-7-4-14(11-17)9-16-13(2)10-18-8-5-15-12-18/h4-5,7-8,11-13,16H,3,6,9-10H2,1-2H3
InChIKeyDPUDTDSXOXCPGM-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.27
Rot. Bonds7

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

1-imidazol-1-yl-N-[(1-propylpyrrol-3-yl)methyl]propan-2-amine (PubChem CID 66415546) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 1-imidazol-1-yl-N-[(1-propylpyrrol-3-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-imidazol-1-yl-N-[(1-propylpyrrol-3-yl)methyl]propan-2-amine
PubChem CID66415546
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name1-imidazol-1-yl-N-[(1-propylpyrrol-3-yl)methyl]propan-2-amine
SMILESCCCn1ccc(CNC(C)Cn2ccnc2)c1
InChIInChI=1S/C14H22N4/c1-3-6-17-7-4-14(11-17)9-16-13(2)10-18-8-5-15-12-18/h4-5,7-8,11-13,16H,3,6,9-10H2,1-2H3
InChIKeyDPUDTDSXOXCPGM-UHFFFAOYSA-N
XLogP2.27
TPSA34.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-imidazol-1-yl-N-[(4-propan-2-ylphenyl)methyl]propan-2-amine
CID 43435582
4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]phenol
CID 43435560
1-imidazol-1-yl-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine
CID 66131355
N-[(4-cyclopropylphenyl)methyl]-1-imidazol-1-ylpropan-2-amine
CID 79979507
1-imidazol-1-yl-N-[(4-imidazol-1-ylphenyl)methyl]propan-2-amine
CID 43435620
(1R)-N-[(1-propylpyrrol-3-yl)methyl]-1-pyridin-2-ylethanamine
CID 81401978
4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]benzamide
CID 43792002
N-[(1-methylpyrrol-3-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 66398766
N-(1-imidazol-1-ylpropan-2-yl)pentan-1-amine
CID 43749599
(2S)-N-[(3-bromo-4-fluorophenyl)methyl]-1-imidazol-1-ylpropan-2-amine
CID 51683999
N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-imidazol-1-ylpropan-2-amine
CID 56703534
(2R)-1-imidazol-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine
CID 38061791

Frequently Asked Questions

What is the IUPAC name of 1-imidazol-1-yl-N-[(1-propylpyrrol-3-yl)methyl]propan-2-amine?
The IUPAC name of 1-imidazol-1-yl-N-[(1-propylpyrrol-3-yl)methyl]propan-2-amine (CID 66415546) is 1-imidazol-1-yl-N-[(1-propylpyrrol-3-yl)methyl]propan-2-amine.
What is the SMILES notation for 1-imidazol-1-yl-N-[(1-propylpyrrol-3-yl)methyl]propan-2-amine?
The canonical SMILES for 1-imidazol-1-yl-N-[(1-propylpyrrol-3-yl)methyl]propan-2-amine is CCCn1ccc(CNC(C)Cn2ccnc2)c1.
What is the InChIKey of 1-imidazol-1-yl-N-[(1-propylpyrrol-3-yl)methyl]propan-2-amine?
The InChIKey is DPUDTDSXOXCPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-3-6-17-7-4-14(11-17)9-16-13(2)10-18-8-5-15-12-18/h4-5,7-8,11-13,16H,3,6,9-10H2,1-2H3.
What are the key properties of 1-imidazol-1-yl-N-[(1-propylpyrrol-3-yl)methyl]propan-2-amine?
1-imidazol-1-yl-N-[(1-propylpyrrol-3-yl)methyl]propan-2-amine has a molecular weight of 246.36 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazol-1-yl-N-[(1-propylpyrrol-3-yl)methyl]propan-2-amine is sourced from PubChem (CID 66415546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).