cyclopentyl-(1-methylimidazol-4-yl)methanamine

C10H17N3 — CID 107973442

IUPACcyclopentyl-(1-methylimidazol-4-yl)methanamine
SMILESCn1cnc(C(N)C2CCCC2)c1
InChIInChI=1S/C10H17N3/c1-13-6-9(12-7-13)10(11)8-4-2-3-5-8/h6-8,10H,2-5,11H2,1H3
InChIKeyFBVCSDMDNOADIU-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.61
Rot. Bonds2

About cyclopentyl-(1-methylimidazol-4-yl)methanamine

cyclopentyl-(1-methylimidazol-4-yl)methanamine (PubChem CID 107973442) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is cyclopentyl-(1-methylimidazol-4-yl)methanamine.

Molecular Properties

Compound Namecyclopentyl-(1-methylimidazol-4-yl)methanamine
PubChem CID107973442
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Namecyclopentyl-(1-methylimidazol-4-yl)methanamine
SMILESCn1cnc(C(N)C2CCCC2)c1
InChIInChI=1S/C10H17N3/c1-13-6-9(12-7-13)10(11)8-4-2-3-5-8/h6-8,10H,2-5,11H2,1H3
InChIKeyFBVCSDMDNOADIU-UHFFFAOYSA-N
XLogP1.61
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(1-methylimidazol-4-yl)ethanamine
CID 96637865
2-cyclopropyl-1-(1-methylimidazol-4-yl)propan-1-ol
CID 130509808
(1R)-1-(1-methylimidazol-4-yl)ethanamine;dihydrochloride
CID 162341661
(1-methylimidazol-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 107977785
(1-methylimidazol-4-yl)-(1,4-oxathian-2-yl)methanamine
CID 130509015
2-amino-1-(1-methylimidazol-4-yl)propan-1-ol
CID 130598579
3-methyl-1-(1-methylimidazol-4-yl)but-2-en-1-amine
CID 107976194
[(1-methylimidazol-4-yl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 107979287
2-amino-2-cyclopropyl-1-(1-methylimidazol-4-yl)propan-1-ol
CID 164650188
cyclopropyl-(1-methyltriazol-4-yl)methanamine
CID 130521601
(4-cyclopropyloxyphenyl)-(1-methylimidazol-4-yl)methanamine
CID 107977755
2-(1-methylimidazol-4-yl)-2-pyrrolidin-1-ylethanamine
CID 84739674

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-(1-methylimidazol-4-yl)methanamine?
The IUPAC name of cyclopentyl-(1-methylimidazol-4-yl)methanamine (CID 107973442) is cyclopentyl-(1-methylimidazol-4-yl)methanamine.
What is the SMILES notation for cyclopentyl-(1-methylimidazol-4-yl)methanamine?
The canonical SMILES for cyclopentyl-(1-methylimidazol-4-yl)methanamine is Cn1cnc(C(N)C2CCCC2)c1.
What is the InChIKey of cyclopentyl-(1-methylimidazol-4-yl)methanamine?
The InChIKey is FBVCSDMDNOADIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-13-6-9(12-7-13)10(11)8-4-2-3-5-8/h6-8,10H,2-5,11H2,1H3.
What are the key properties of cyclopentyl-(1-methylimidazol-4-yl)methanamine?
cyclopentyl-(1-methylimidazol-4-yl)methanamine has a molecular weight of 179.27 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-(1-methylimidazol-4-yl)methanamine is sourced from PubChem (CID 107973442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).