N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]tricyclo[3.2.1.02,4]octan-3-amine

C14H22N4 — CID 114096334

IUPACN-[[1-(2-aminoethyl)imidazol-4-yl]methyl]tricyclo[3.2.1.02,4]octan-3-amine
SMILESNCCn1cnc(CNC2C3C4CCC(C4)C23)c1
InChIInChI=1S/C14H22N4/c15-3-4-18-7-11(17-8-18)6-16-14-12-9-1-2-10(5-9)13(12)14/h7-10,12-14,16H,1-6,15H2
InChIKeyMHEVNEOTSDTWJP-UHFFFAOYSA-N
MW246.36 g/mol
LogP0.98
Rot. Bonds5

About N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]tricyclo[3.2.1.02,4]octan-3-amine

N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]tricyclo[3.2.1.02,4]octan-3-amine (PubChem CID 114096334) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]tricyclo[3.2.1.02,4]octan-3-amine.

Molecular Properties

Compound NameN-[[1-(2-aminoethyl)imidazol-4-yl]methyl]tricyclo[3.2.1.02,4]octan-3-amine
PubChem CID114096334
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC NameN-[[1-(2-aminoethyl)imidazol-4-yl]methyl]tricyclo[3.2.1.02,4]octan-3-amine
SMILESNCCn1cnc(CNC2C3C4CCC(C4)C23)c1
InChIInChI=1S/C14H22N4/c15-3-4-18-7-11(17-8-18)6-16-14-12-9-1-2-10(5-9)13(12)14/h7-10,12-14,16H,1-6,15H2
InChIKeyMHEVNEOTSDTWJP-UHFFFAOYSA-N
XLogP0.98
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]tricyclo[3.2.1.02,4]octan-3-amine with MolForge

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Related Compounds

N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-3-methylcyclopentan-1-amine
CID 107501214
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-1-ethylcyclobutan-1-amine
CID 107501173
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-methylcyclobutanamine
CID 107501185
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-3,3,3-trifluoropropan-1-amine
CID 107500936
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-2,3-dimethylbutan-1-amine
CID 107501008
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-prop-2-enylcyclopropanamine
CID 107501127
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-(2-methylpropyl)cyclopropanamine
CID 107500803
1-(2-aminoethyl)imidazol-4-amine
CID 96848259
2-[4-[(3-methylpyrrolidin-1-yl)methyl]imidazol-1-yl]ethanamine
CID 107500731
2-[4-[(2,4-dimethylpyrrolidin-1-yl)methyl]imidazol-1-yl]ethanamine
CID 107501201
N-[(1-ethylimidazol-4-yl)methyl]cyclobutanamine
CID 117191740
2-[4-[(furan-2-ylmethylamino)methyl]imidazol-1-yl]ethanamine
CID 107500713

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]tricyclo[3.2.1.02,4]octan-3-amine?
The IUPAC name of N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]tricyclo[3.2.1.02,4]octan-3-amine (CID 114096334) is N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]tricyclo[3.2.1.02,4]octan-3-amine.
What is the SMILES notation for N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]tricyclo[3.2.1.02,4]octan-3-amine?
The canonical SMILES for N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]tricyclo[3.2.1.02,4]octan-3-amine is NCCn1cnc(CNC2C3C4CCC(C4)C23)c1.
What is the InChIKey of N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]tricyclo[3.2.1.02,4]octan-3-amine?
The InChIKey is MHEVNEOTSDTWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c15-3-4-18-7-11(17-8-18)6-16-14-12-9-1-2-10(5-9)13(12)14/h7-10,12-14,16H,1-6,15H2.
What are the key properties of N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]tricyclo[3.2.1.02,4]octan-3-amine?
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]tricyclo[3.2.1.02,4]octan-3-amine has a molecular weight of 246.36 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]tricyclo[3.2.1.02,4]octan-3-amine is sourced from PubChem (CID 114096334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).