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

C12H21N3 — CID 63821996

IUPACN-[(1-methylcyclopentyl)methyl]-1-(2-methyl-1H-imidazol-5-yl)methanamine
SMILESCc1ncc(CNCC2(C)CCCC2)[nH]1
InChIInChI=1S/C12H21N3/c1-10-14-8-11(15-10)7-13-9-12(2)5-3-4-6-12/h8,13H,3-7,9H2,1-2H3,(H,14,15)
InChIKeyFRAKRAULQKVGAS-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.39
Rot. Bonds4

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

N-[(1-methylcyclopentyl)methyl]-1-(2-methyl-1H-imidazol-5-yl)methanamine (PubChem CID 63821996) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N-[(1-methylcyclopentyl)methyl]-1-(2-methyl-1H-imidazol-5-yl)methanamine.

Molecular Properties

Compound NameN-[(1-methylcyclopentyl)methyl]-1-(2-methyl-1H-imidazol-5-yl)methanamine
PubChem CID63821996
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN-[(1-methylcyclopentyl)methyl]-1-(2-methyl-1H-imidazol-5-yl)methanamine
SMILESCc1ncc(CNCC2(C)CCCC2)[nH]1
InChIInChI=1S/C12H21N3/c1-10-14-8-11(15-10)7-13-9-12(2)5-3-4-6-12/h8,13H,3-7,9H2,1-2H3,(H,14,15)
InChIKeyFRAKRAULQKVGAS-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylcyclopentyl)methyl]-1-(2-methyl-1H-imidazol-5-yl)methanamine?
The IUPAC name of N-[(1-methylcyclopentyl)methyl]-1-(2-methyl-1H-imidazol-5-yl)methanamine (CID 63821996) is N-[(1-methylcyclopentyl)methyl]-1-(2-methyl-1H-imidazol-5-yl)methanamine.
What is the SMILES notation for N-[(1-methylcyclopentyl)methyl]-1-(2-methyl-1H-imidazol-5-yl)methanamine?
The canonical SMILES for N-[(1-methylcyclopentyl)methyl]-1-(2-methyl-1H-imidazol-5-yl)methanamine is Cc1ncc(CNCC2(C)CCCC2)[nH]1.
What is the InChIKey of N-[(1-methylcyclopentyl)methyl]-1-(2-methyl-1H-imidazol-5-yl)methanamine?
The InChIKey is FRAKRAULQKVGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-10-14-8-11(15-10)7-13-9-12(2)5-3-4-6-12/h8,13H,3-7,9H2,1-2H3,(H,14,15).
What are the key properties of N-[(1-methylcyclopentyl)methyl]-1-(2-methyl-1H-imidazol-5-yl)methanamine?
N-[(1-methylcyclopentyl)methyl]-1-(2-methyl-1H-imidazol-5-yl)methanamine has a molecular weight of 207.32 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylcyclopentyl)methyl]-1-(2-methyl-1H-imidazol-5-yl)methanamine is sourced from PubChem (CID 63821996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).