N-[(3-propan-2-ylimidazol-4-yl)methyl]-1-pyridin-3-ylmethanamine

C13H18N4 — CID 66131281

IUPACN-[(3-propan-2-ylimidazol-4-yl)methyl]-1-pyridin-3-ylmethanamine
SMILESCC(C)n1cncc1CNCc1cccnc1
InChIInChI=1S/C13H18N4/c1-11(2)17-10-16-9-13(17)8-15-7-12-4-3-5-14-6-12/h3-6,9-11,15H,7-8H2,1-2H3
InChIKeySEJUKMONQDMHHI-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.15
Rot. Bonds5

About N-[(3-propan-2-ylimidazol-4-yl)methyl]-1-pyridin-3-ylmethanamine

N-[(3-propan-2-ylimidazol-4-yl)methyl]-1-pyridin-3-ylmethanamine (PubChem CID 66131281) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is N-[(3-propan-2-ylimidazol-4-yl)methyl]-1-pyridin-3-ylmethanamine.

Molecular Properties

Compound NameN-[(3-propan-2-ylimidazol-4-yl)methyl]-1-pyridin-3-ylmethanamine
PubChem CID66131281
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC NameN-[(3-propan-2-ylimidazol-4-yl)methyl]-1-pyridin-3-ylmethanamine
SMILESCC(C)n1cncc1CNCc1cccnc1
InChIInChI=1S/C13H18N4/c1-11(2)17-10-16-9-13(17)8-15-7-12-4-3-5-14-6-12/h3-6,9-11,15H,7-8H2,1-2H3
InChIKeySEJUKMONQDMHHI-UHFFFAOYSA-N
XLogP2.15
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-methyl-3-pyridinyl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine
CID 66161982
1-(6-methoxy-3-pyridinyl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine
CID 66129481
N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-3-ylmethanamine
CID 19626584
N-[(1-propylpyrrol-2-yl)methyl]-1-pyridin-3-ylmethanamine
CID 66411498
3-phenoxy-N-[(3-propan-2-ylimidazol-4-yl)methyl]propan-1-amine
CID 66163380
N'-[(3-propan-2-ylimidazol-4-yl)methyl]propane-1,3-diamine
CID 66132307
N-(1,3-benzothiazol-2-ylmethyl)-1-(3-propan-2-ylimidazol-4-yl)methanamine
CID 66130680
1-pyridin-4-yl-N-(pyridin-3-ylmethyl)methanamine;dihydrochloride
CID 163329891
N'-[(3-propan-2-ylimidazol-4-yl)methyl]butane-1,4-diamine
CID 66132309
N-[(3-propan-2-ylimidazol-4-yl)methyl]-2-thiophen-2-ylethanamine
CID 66131471
1-phenyl-N-(pyridin-3-ylmethyl)methanamine;N-(pyridin-3-ylmethyl)ethanamine
CID 174270590
N-[[3-[(3-propan-2-ylimidazol-4-yl)methylsulfanyl]phenyl]methyl]ethanamine
CID 66349215

Frequently Asked Questions

What is the IUPAC name of N-[(3-propan-2-ylimidazol-4-yl)methyl]-1-pyridin-3-ylmethanamine?
The IUPAC name of N-[(3-propan-2-ylimidazol-4-yl)methyl]-1-pyridin-3-ylmethanamine (CID 66131281) is N-[(3-propan-2-ylimidazol-4-yl)methyl]-1-pyridin-3-ylmethanamine.
What is the SMILES notation for N-[(3-propan-2-ylimidazol-4-yl)methyl]-1-pyridin-3-ylmethanamine?
The canonical SMILES for N-[(3-propan-2-ylimidazol-4-yl)methyl]-1-pyridin-3-ylmethanamine is CC(C)n1cncc1CNCc1cccnc1.
What is the InChIKey of N-[(3-propan-2-ylimidazol-4-yl)methyl]-1-pyridin-3-ylmethanamine?
The InChIKey is SEJUKMONQDMHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-11(2)17-10-16-9-13(17)8-15-7-12-4-3-5-14-6-12/h3-6,9-11,15H,7-8H2,1-2H3.
What are the key properties of N-[(3-propan-2-ylimidazol-4-yl)methyl]-1-pyridin-3-ylmethanamine?
N-[(3-propan-2-ylimidazol-4-yl)methyl]-1-pyridin-3-ylmethanamine has a molecular weight of 230.31 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-propan-2-ylimidazol-4-yl)methyl]-1-pyridin-3-ylmethanamine is sourced from PubChem (CID 66131281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).