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

C13H21N3 — CID 63002159

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-N-[(3-methylimidazol-4-yl)methyl]methanamine
SMILESCn1cncc1CNCC1CC2CCC1C2
InChIInChI=1S/C13H21N3/c1-16-9-15-8-13(16)7-14-6-12-5-10-2-3-11(12)4-10/h8-12,14H,2-7H2,1H3
InChIKeyKRYRLZLHEHWETL-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.95
Rot. Bonds4

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

1-(2-bicyclo[2.2.1]heptanyl)-N-[(3-methylimidazol-4-yl)methyl]methanamine (PubChem CID 63002159) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-N-[(3-methylimidazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-N-[(3-methylimidazol-4-yl)methyl]methanamine
PubChem CID63002159
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-N-[(3-methylimidazol-4-yl)methyl]methanamine
SMILESCn1cncc1CNCC1CC2CCC1C2
InChIInChI=1S/C13H21N3/c1-16-9-15-8-13(16)7-14-6-12-5-10-2-3-11(12)4-10/h8-12,14H,2-7H2,1H3
InChIKeyKRYRLZLHEHWETL-UHFFFAOYSA-N
XLogP1.95
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)-N-[(3-propylimidazol-4-yl)methyl]methanamine
CID 66132378
N-[(3-methylimidazol-4-yl)methyl]-1-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 154761416
1-(2-bicyclo[2.2.1]heptanyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275478
N-[(3-methylimidazol-4-yl)methyl]-1-[(3S)-1-propylpyrrolidin-3-yl]methanamine
CID 124682664
1-(2-bicyclo[2.2.1]heptanyl)-N-[(1-cyclopentylpyrazol-3-yl)methyl]methanamine
CID 64799167
1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 78992569
N-(2-bicyclo[2.2.1]heptanylmethyl)-3-imidazol-1-ylpropan-1-amine
CID 63683145
1-(2-bicyclo[2.2.1]heptanyl)-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 62733747
1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]methanamine
CID 63681622
N-(2-bicyclo[2.2.1]heptanylmethyl)-1-methyl-3-propan-2-ylpyrazol-4-amine
CID 114094602
1-(2-bicyclo[2.2.1]heptanyl)-N-[(2,5-dimethylphenyl)methyl]methanamine
CID 63689969
3-ethylsulfanyl-N-[(3-methylimidazol-4-yl)methyl]cyclopentan-1-amine
CID 103702404

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-[(3-methylimidazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-[(3-methylimidazol-4-yl)methyl]methanamine (CID 63002159) is 1-(2-bicyclo[2.2.1]heptanyl)-N-[(3-methylimidazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-N-[(3-methylimidazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-N-[(3-methylimidazol-4-yl)methyl]methanamine is Cn1cncc1CNCC1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-N-[(3-methylimidazol-4-yl)methyl]methanamine?
The InChIKey is KRYRLZLHEHWETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-16-9-15-8-13(16)7-14-6-12-5-10-2-3-11(12)4-10/h8-12,14H,2-7H2,1H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-N-[(3-methylimidazol-4-yl)methyl]methanamine?
1-(2-bicyclo[2.2.1]heptanyl)-N-[(3-methylimidazol-4-yl)methyl]methanamine has a molecular weight of 219.33 g/mol, XLogP of 1.95, 4 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-methylimidazol-4-yl)methyl]methanamine is sourced from PubChem (CID 63002159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).