1-(2-methylcyclopentyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]methanamine

C12H21N3 — CID 107417635

IUPAC1-(2-methylcyclopentyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]methanamine
SMILESCc1ncc(CNCC2CCCC2C)[nH]1
InChIInChI=1S/C12H21N3/c1-9-4-3-5-11(9)6-13-7-12-8-14-10(2)15-12/h8-9,11,13H,3-7H2,1-2H3,(H,14,15)
InChIKeyALMWMCVBSBPGDS-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.24
Rot. Bonds4

About 1-(2-methylcyclopentyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]methanamine

1-(2-methylcyclopentyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]methanamine (PubChem CID 107417635) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(2-methylcyclopentyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-methylcyclopentyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]methanamine
PubChem CID107417635
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-(2-methylcyclopentyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]methanamine
SMILESCc1ncc(CNCC2CCCC2C)[nH]1
InChIInChI=1S/C12H21N3/c1-9-4-3-5-11(9)6-13-7-12-8-14-10(2)15-12/h8-9,11,13H,3-7H2,1-2H3,(H,14,15)
InChIKeyALMWMCVBSBPGDS-UHFFFAOYSA-N
XLogP2.24
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylcyclopentyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]methanamine?
The IUPAC name of 1-(2-methylcyclopentyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]methanamine (CID 107417635) is 1-(2-methylcyclopentyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-methylcyclopentyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-(2-methylcyclopentyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]methanamine is Cc1ncc(CNCC2CCCC2C)[nH]1.
What is the InChIKey of 1-(2-methylcyclopentyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]methanamine?
The InChIKey is ALMWMCVBSBPGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-9-4-3-5-11(9)6-13-7-12-8-14-10(2)15-12/h8-9,11,13H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 1-(2-methylcyclopentyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]methanamine?
1-(2-methylcyclopentyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]methanamine has a molecular weight of 207.32 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylcyclopentyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]methanamine is sourced from PubChem (CID 107417635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).