1-imidazol-1-yl-N-(2-pyridin-2-ylethyl)propan-2-amine

C13H18N4 — CID 54958968

IUPAC1-imidazol-1-yl-N-(2-pyridin-2-ylethyl)propan-2-amine
SMILESCC(Cn1ccnc1)NCCc1ccccn1
InChIInChI=1S/C13H18N4/c1-12(10-17-9-8-14-11-17)15-7-5-13-4-2-3-6-16-13/h2-4,6,8-9,11-12,15H,5,7,10H2,1H3
InChIKeyBUEPTPMEOFKAHQ-UHFFFAOYSA-N
MW230.32 g/mol
LogP1.50
Rot. Bonds6

About 1-imidazol-1-yl-N-(2-pyridin-2-ylethyl)propan-2-amine

1-imidazol-1-yl-N-(2-pyridin-2-ylethyl)propan-2-amine (PubChem CID 54958968) has the molecular formula C13H18N4 and a molecular weight of 230.32 g/mol. Its IUPAC name is 1-imidazol-1-yl-N-(2-pyridin-2-ylethyl)propan-2-amine.

Molecular Properties

Compound Name1-imidazol-1-yl-N-(2-pyridin-2-ylethyl)propan-2-amine
PubChem CID54958968
Molecular FormulaC13H18N4
Molecular Weight230.32 g/mol
Exact Mass230.15
IUPAC Name1-imidazol-1-yl-N-(2-pyridin-2-ylethyl)propan-2-amine
SMILESCC(Cn1ccnc1)NCCc1ccccn1
InChIInChI=1S/C13H18N4/c1-12(10-17-9-8-14-11-17)15-7-5-13-4-2-3-6-16-13/h2-4,6,8-9,11-12,15H,5,7,10H2,1H3
InChIKeyBUEPTPMEOFKAHQ-UHFFFAOYSA-N
XLogP1.50
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.32
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-imidazol-1-yl-N-(quinoxalin-2-ylmethyl)propan-2-amine
CID 43791950
1-N,1-N-dimethyl-2-N-(2-pyridin-2-ylethyl)propane-1,2-diamine
CID 82938712
1-cyclopropyl-3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-(pyridin-2-ylmethyl)urea
CID 95133629
(2R)-1-imidazol-1-yl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propan-2-amine
CID 125441563
1-methylsulfonyl-N-(2-pyridin-2-ylethyl)propan-2-amine
CID 64629702
4-methoxy-4-methyl-N-(2-pyridin-2-ylethyl)pentan-2-amine
CID 43147057
(2R)-N-(2-pyridin-2-ylethyl)hex-5-en-2-amine
CID 97358782
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
N-[[2-(1,1-difluoroethyl)phenyl]methyl]-1-imidazol-1-ylpropan-2-amine
CID 166268986
1-imidazol-1-yl-N-[(1-methylindazol-3-yl)methyl]propan-2-amine
CID 63000923
N-(1-imidazol-1-ylpropan-2-yl)pentan-1-amine
CID 43749599

Frequently Asked Questions

What is the IUPAC name of 1-imidazol-1-yl-N-(2-pyridin-2-ylethyl)propan-2-amine?
The IUPAC name of 1-imidazol-1-yl-N-(2-pyridin-2-ylethyl)propan-2-amine (CID 54958968) is 1-imidazol-1-yl-N-(2-pyridin-2-ylethyl)propan-2-amine.
What is the SMILES notation for 1-imidazol-1-yl-N-(2-pyridin-2-ylethyl)propan-2-amine?
The canonical SMILES for 1-imidazol-1-yl-N-(2-pyridin-2-ylethyl)propan-2-amine is CC(Cn1ccnc1)NCCc1ccccn1.
What is the InChIKey of 1-imidazol-1-yl-N-(2-pyridin-2-ylethyl)propan-2-amine?
The InChIKey is BUEPTPMEOFKAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-12(10-17-9-8-14-11-17)15-7-5-13-4-2-3-6-16-13/h2-4,6,8-9,11-12,15H,5,7,10H2,1H3.
What are the key properties of 1-imidazol-1-yl-N-(2-pyridin-2-ylethyl)propan-2-amine?
1-imidazol-1-yl-N-(2-pyridin-2-ylethyl)propan-2-amine has a molecular weight of 230.32 g/mol, XLogP of 1.50, 6 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-(2-pyridin-2-ylethyl)propan-2-amine is sourced from PubChem (CID 54958968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).