N-(1H-imidazol-5-ylmethyl)-1-(3-methylcyclopentyl)methanamine

C11H19N3 — CID 107411694

IUPACN-(1H-imidazol-5-ylmethyl)-1-(3-methylcyclopentyl)methanamine
SMILESCC1CCC(CNCc2cnc[nH]2)C1
InChIInChI=1S/C11H19N3/c1-9-2-3-10(4-9)5-12-6-11-7-13-8-14-11/h7-10,12H,2-6H2,1H3,(H,13,14)
InChIKeyIKYXEXSPNWBCGI-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.94
Rot. Bonds4

About N-(1H-imidazol-5-ylmethyl)-1-(3-methylcyclopentyl)methanamine

N-(1H-imidazol-5-ylmethyl)-1-(3-methylcyclopentyl)methanamine (PubChem CID 107411694) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-1-(3-methylcyclopentyl)methanamine.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)-1-(3-methylcyclopentyl)methanamine
PubChem CID107411694
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC NameN-(1H-imidazol-5-ylmethyl)-1-(3-methylcyclopentyl)methanamine
SMILESCC1CCC(CNCc2cnc[nH]2)C1
InChIInChI=1S/C11H19N3/c1-9-2-3-10(4-9)5-12-6-11-7-13-8-14-11/h7-10,12H,2-6H2,1H3,(H,13,14)
InChIKeyIKYXEXSPNWBCGI-UHFFFAOYSA-N
XLogP1.94
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)-1-(3-methylcyclopentyl)methanamine?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)-1-(3-methylcyclopentyl)methanamine (CID 107411694) is N-(1H-imidazol-5-ylmethyl)-1-(3-methylcyclopentyl)methanamine.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-1-(3-methylcyclopentyl)methanamine?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-1-(3-methylcyclopentyl)methanamine is CC1CCC(CNCc2cnc[nH]2)C1.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-1-(3-methylcyclopentyl)methanamine?
The InChIKey is IKYXEXSPNWBCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-9-2-3-10(4-9)5-12-6-11-7-13-8-14-11/h7-10,12H,2-6H2,1H3,(H,13,14).
What are the key properties of N-(1H-imidazol-5-ylmethyl)-1-(3-methylcyclopentyl)methanamine?
N-(1H-imidazol-5-ylmethyl)-1-(3-methylcyclopentyl)methanamine has a molecular weight of 193.29 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)-1-(3-methylcyclopentyl)methanamine is sourced from PubChem (CID 107411694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).