1-(2-bicyclo[2.2.1]heptanyl)-N-[(3-propylimidazol-4-yl)methyl]methanamine

C15H25N3 — CID 66132378

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-N-[(3-propylimidazol-4-yl)methyl]methanamine
SMILESCCCn1cncc1CNCC1CC2CCC1C2
InChIInChI=1S/C15H25N3/c1-2-5-18-11-17-10-15(18)9-16-8-14-7-12-3-4-13(14)6-12/h10-14,16H,2-9H2,1H3
InChIKeyHIJHMCIRMZFENX-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.82
Rot. Bonds6

About 1-(2-bicyclo[2.2.1]heptanyl)-N-[(3-propylimidazol-4-yl)methyl]methanamine

1-(2-bicyclo[2.2.1]heptanyl)-N-[(3-propylimidazol-4-yl)methyl]methanamine (PubChem CID 66132378) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-N-[(3-propylimidazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-N-[(3-propylimidazol-4-yl)methyl]methanamine
PubChem CID66132378
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-N-[(3-propylimidazol-4-yl)methyl]methanamine
SMILESCCCn1cncc1CNCC1CC2CCC1C2
InChIInChI=1S/C15H25N3/c1-2-5-18-11-17-10-15(18)9-16-8-14-7-12-3-4-13(14)6-12/h10-14,16H,2-9H2,1H3
InChIKeyHIJHMCIRMZFENX-UHFFFAOYSA-N
XLogP2.82
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)-N-[(3-methylimidazol-4-yl)methyl]methanamine
CID 63002159
1-(1,1-dioxothiolan-2-yl)-N-[(3-propylimidazol-4-yl)methyl]methanamine
CID 81038867
N-[(3-ethylimidazol-4-yl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 66133237
3-[(3-propylimidazol-4-yl)methylamino]cyclobutan-1-ol
CID 66129997
2-methyl-N-[(3-propylimidazol-4-yl)methyl]cycloheptan-1-amine
CID 66129396
3-(4-methylpiperidin-1-yl)-N-[(3-propylimidazol-4-yl)methyl]propan-1-amine
CID 66134575
1-propyl-N-[(3-propylimidazol-4-yl)methyl]piperidin-4-amine
CID 66134778
1-(2-bicyclo[2.2.1]heptanyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275478
N-[(1-methylcyclopentyl)methyl]-1-(3-propylimidazol-4-yl)methanamine
CID 66129391
N-[(3-propylimidazol-4-yl)methyl]but-3-yn-1-amine
CID 66130391
[4-[[(3-propylimidazol-4-yl)methylamino]methyl]phenyl]methanol
CID 107230142
N'-ethyl-N'-methyl-N-[(3-propylimidazol-4-yl)methyl]ethane-1,2-diamine
CID 66131979

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-[(3-propylimidazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-[(3-propylimidazol-4-yl)methyl]methanamine (CID 66132378) is 1-(2-bicyclo[2.2.1]heptanyl)-N-[(3-propylimidazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-N-[(3-propylimidazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-N-[(3-propylimidazol-4-yl)methyl]methanamine is CCCn1cncc1CNCC1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-N-[(3-propylimidazol-4-yl)methyl]methanamine?
The InChIKey is HIJHMCIRMZFENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-2-5-18-11-17-10-15(18)9-16-8-14-7-12-3-4-13(14)6-12/h10-14,16H,2-9H2,1H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-N-[(3-propylimidazol-4-yl)methyl]methanamine?
1-(2-bicyclo[2.2.1]heptanyl)-N-[(3-propylimidazol-4-yl)methyl]methanamine has a molecular weight of 247.39 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-N-[(3-propylimidazol-4-yl)methyl]methanamine is sourced from PubChem (CID 66132378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).