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

C15H25N3 — CID 114531410

IUPACN-methyl-1-[2-[2-(1-methylimidazol-2-yl)ethyl]-2-bicyclo[2.2.1]heptanyl]methanamine
SMILESCNCC1(CCc2nccn2C)CC2CCC1C2
InChIInChI=1S/C15H25N3/c1-16-11-15(10-12-3-4-13(15)9-12)6-5-14-17-7-8-18(14)2/h7-8,12-13,16H,3-6,9-11H2,1-2H3
InChIKeyWRZNOIVWCKKMRA-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.38
Rot. Bonds5

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

N-methyl-1-[2-[2-(1-methylimidazol-2-yl)ethyl]-2-bicyclo[2.2.1]heptanyl]methanamine (PubChem CID 114531410) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N-methyl-1-[2-[2-(1-methylimidazol-2-yl)ethyl]-2-bicyclo[2.2.1]heptanyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-[2-(1-methylimidazol-2-yl)ethyl]-2-bicyclo[2.2.1]heptanyl]methanamine
PubChem CID114531410
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN-methyl-1-[2-[2-(1-methylimidazol-2-yl)ethyl]-2-bicyclo[2.2.1]heptanyl]methanamine
SMILESCNCC1(CCc2nccn2C)CC2CCC1C2
InChIInChI=1S/C15H25N3/c1-16-11-15(10-12-3-4-13(15)9-12)6-5-14-17-7-8-18(14)2/h7-8,12-13,16H,3-6,9-11H2,1-2H3
InChIKeyWRZNOIVWCKKMRA-UHFFFAOYSA-N
XLogP2.38
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-1-[2-[2-(1-methylimidazol-2-yl)ethyl]-2-bicyclo[2.2.1]heptanyl]methanamine with MolForge

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Related Compounds

1-[4-tert-butyl-1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexyl]-N-methylmethanamine
CID 114531439
[2-[2-(2-methylpyrazol-3-yl)ethyl]-2-bicyclo[2.2.1]heptanyl]methanol
CID 103017855
3-hydroxy-3-[2-(1-methylimidazol-2-yl)ethyl]cyclobutane-1-carboxylic acid
CID 114529248
3-amino-1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-ol
CID 114529231
1-[2-[(1-ethylpyrazol-4-yl)methyl]-2-bicyclo[2.2.1]heptanyl]-N-methylmethanamine
CID 55106783
3-methyl-3-[2-(1-methylimidazol-2-yl)ethyl]cyclopentan-1-amine
CID 114532157
N-[[1-[2-(1-methylimidazol-2-yl)ethyl]cyclopentyl]methyl]propan-2-amine
CID 114531428
1-(1-adamantyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 114529718
[2-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanol
CID 66026284
1-[4,4-dimethyl-2-[2-(1-methylimidazol-2-yl)ethyl]cyclohexyl]-N-methylmethanamine
CID 114533039
N-[(1-methylimidazol-2-yl)methyl]adamantan-1-amine
CID 43142865
4-[2-(1-methylimidazol-2-yl)ethyl]oxan-4-ol
CID 114529027

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-[2-(1-methylimidazol-2-yl)ethyl]-2-bicyclo[2.2.1]heptanyl]methanamine?
The IUPAC name of N-methyl-1-[2-[2-(1-methylimidazol-2-yl)ethyl]-2-bicyclo[2.2.1]heptanyl]methanamine (CID 114531410) is N-methyl-1-[2-[2-(1-methylimidazol-2-yl)ethyl]-2-bicyclo[2.2.1]heptanyl]methanamine.
What is the SMILES notation for N-methyl-1-[2-[2-(1-methylimidazol-2-yl)ethyl]-2-bicyclo[2.2.1]heptanyl]methanamine?
The canonical SMILES for N-methyl-1-[2-[2-(1-methylimidazol-2-yl)ethyl]-2-bicyclo[2.2.1]heptanyl]methanamine is CNCC1(CCc2nccn2C)CC2CCC1C2.
What is the InChIKey of N-methyl-1-[2-[2-(1-methylimidazol-2-yl)ethyl]-2-bicyclo[2.2.1]heptanyl]methanamine?
The InChIKey is WRZNOIVWCKKMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-16-11-15(10-12-3-4-13(15)9-12)6-5-14-17-7-8-18(14)2/h7-8,12-13,16H,3-6,9-11H2,1-2H3.
What are the key properties of N-methyl-1-[2-[2-(1-methylimidazol-2-yl)ethyl]-2-bicyclo[2.2.1]heptanyl]methanamine?
N-methyl-1-[2-[2-(1-methylimidazol-2-yl)ethyl]-2-bicyclo[2.2.1]heptanyl]methanamine has a molecular weight of 247.39 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-[2-(1-methylimidazol-2-yl)ethyl]-2-bicyclo[2.2.1]heptanyl]methanamine is sourced from PubChem (CID 114531410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).