N-[(4-methyl-3-pyridinyl)methyl]-1-propylimidazol-2-amine

C13H18N4 — CID 106583359

IUPACN-[(4-methyl-3-pyridinyl)methyl]-1-propylimidazol-2-amine
SMILESCCCn1ccnc1NCc1cnccc1C
InChIInChI=1S/C13H18N4/c1-3-7-17-8-6-15-13(17)16-10-12-9-14-5-4-11(12)2/h4-6,8-9H,3,7,10H2,1-2H3,(H,15,16)
InChIKeyAHFULXOMUGNSLK-UHFFFAOYSA-N
MW230.32 g/mol
LogP2.61
Rot. Bonds5

About N-[(4-methyl-3-pyridinyl)methyl]-1-propylimidazol-2-amine

N-[(4-methyl-3-pyridinyl)methyl]-1-propylimidazol-2-amine (PubChem CID 106583359) has the molecular formula C13H18N4 and a molecular weight of 230.32 g/mol. Its IUPAC name is N-[(4-methyl-3-pyridinyl)methyl]-1-propylimidazol-2-amine.

Molecular Properties

Compound NameN-[(4-methyl-3-pyridinyl)methyl]-1-propylimidazol-2-amine
PubChem CID106583359
Molecular FormulaC13H18N4
Molecular Weight230.32 g/mol
Exact Mass230.15
IUPAC NameN-[(4-methyl-3-pyridinyl)methyl]-1-propylimidazol-2-amine
SMILESCCCn1ccnc1NCc1cnccc1C
InChIInChI=1S/C13H18N4/c1-3-7-17-8-6-15-13(17)16-10-12-9-14-5-4-11(12)2/h4-6,8-9H,3,7,10H2,1-2H3,(H,15,16)
InChIKeyAHFULXOMUGNSLK-UHFFFAOYSA-N
XLogP2.61
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.32
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methyl-3-pyridinyl)methyl]-1-propan-2-ylimidazol-2-amine
CID 106583378
3-[(3-methyl-4-pyridinyl)methylamino]-1-propylpyrazin-2-one
CID 114701033
N-[(2-fluorophenyl)methyl]-1-propylimidazol-2-amine
CID 106559103
N-methyl-1-[(4-methyl-3-pyridinyl)methyl]imidazol-2-amine
CID 106583356
1-propyl-N-(quinolin-8-ylmethyl)imidazol-2-amine
CID 106577425
N-[(4-methyl-3-pyridinyl)methyl]pyridin-4-amine
CID 114956500
5-iodo-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-2-amine
CID 114956718
N-[(3-chlorophenyl)methyl]-1-propylimidazol-2-amine
CID 106570097
N-hexyl-1-propylimidazol-2-amine
CID 106573792
5-chloro-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-2-amine
CID 114956528
3-methyl-N-[(4-methyl-3-pyridinyl)methyl]pentan-3-amine
CID 103829141
N-[(4-methyl-3-pyridinyl)methyl]pyridin-2-amine
CID 91611248

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-3-pyridinyl)methyl]-1-propylimidazol-2-amine?
The IUPAC name of N-[(4-methyl-3-pyridinyl)methyl]-1-propylimidazol-2-amine (CID 106583359) is N-[(4-methyl-3-pyridinyl)methyl]-1-propylimidazol-2-amine.
What is the SMILES notation for N-[(4-methyl-3-pyridinyl)methyl]-1-propylimidazol-2-amine?
The canonical SMILES for N-[(4-methyl-3-pyridinyl)methyl]-1-propylimidazol-2-amine is CCCn1ccnc1NCc1cnccc1C.
What is the InChIKey of N-[(4-methyl-3-pyridinyl)methyl]-1-propylimidazol-2-amine?
The InChIKey is AHFULXOMUGNSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-3-7-17-8-6-15-13(17)16-10-12-9-14-5-4-11(12)2/h4-6,8-9H,3,7,10H2,1-2H3,(H,15,16).
What are the key properties of N-[(4-methyl-3-pyridinyl)methyl]-1-propylimidazol-2-amine?
N-[(4-methyl-3-pyridinyl)methyl]-1-propylimidazol-2-amine has a molecular weight of 230.32 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-3-pyridinyl)methyl]-1-propylimidazol-2-amine is sourced from PubChem (CID 106583359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).