(1S)-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine

C14H18N4 — CID 81405662

IUPAC(1S)-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine
SMILESC[C@H](NCc1cncn1C1CC1)c1ccncc1
InChIInChI=1S/C14H18N4/c1-11(12-4-6-15-7-5-12)17-9-14-8-16-10-18(14)13-2-3-13/h4-8,10-11,13,17H,2-3,9H2,1H3/t11-/m0/s1
InChIKeySLXOXXLCFSTEBA-NSHDSACASA-N
MW242.33 g/mol
LogP2.46
Rot. Bonds5

About (1S)-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine

(1S)-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine (PubChem CID 81405662) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is (1S)-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine.

Molecular Properties

Compound Name(1S)-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine
PubChem CID81405662
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name(1S)-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine
SMILESC[C@H](NCc1cncn1C1CC1)c1ccncc1
InChIInChI=1S/C14H18N4/c1-11(12-4-6-15-7-5-12)17-9-14-8-16-10-18(14)13-2-3-13/h4-8,10-11,13,17H,2-3,9H2,1H3/t11-/m0/s1
InChIKeySLXOXXLCFSTEBA-NSHDSACASA-N
XLogP2.46
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(4-chlorophenyl)-N-[(3-cyclopropylimidazol-4-yl)methyl]ethanamine
CID 81351919
(1S)-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 81370569
(1R)-N-[(3-methylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 81405813
1-(1,3-benzodioxol-5-yl)-N-[(3-cyclopropylimidazol-4-yl)methyl]ethanamine
CID 66162904
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(furan-2-yl)ethanamine
CID 66162293
(1S)-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 81375145
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(2-fluorophenyl)ethanamine
CID 66163741
(2S)-2-[(3-cyclopropylimidazol-4-yl)methylamino]propanoic acid
CID 83194284
(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
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(2,5-dimethylfuran-3-yl)ethanamine
CID 66140201
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 66140209

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine?
The IUPAC name of (1S)-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine (CID 81405662) is (1S)-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine.
What is the SMILES notation for (1S)-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine?
The canonical SMILES for (1S)-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine is C[C@H](NCc1cncn1C1CC1)c1ccncc1.
What is the InChIKey of (1S)-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine?
The InChIKey is SLXOXXLCFSTEBA-NSHDSACASA-N. The full InChI is InChI=1S/C14H18N4/c1-11(12-4-6-15-7-5-12)17-9-14-8-16-10-18(14)13-2-3-13/h4-8,10-11,13,17H,2-3,9H2,1H3/t11-/m0/s1.
What are the key properties of (1S)-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine?
(1S)-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine has a molecular weight of 242.33 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine is sourced from PubChem (CID 81405662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).