N-(furan-2-ylmethyl)-2,5-dimethylcyclopentan-1-imine

C12H17NO — CID 21317040

IUPACN-(furan-2-ylmethyl)-2,5-dimethylcyclopentan-1-imine
SMILESCC1CCC(C)C1=NCc1ccco1
InChIInChI=1S/C12H17NO/c1-9-5-6-10(2)12(9)13-8-11-4-3-7-14-11/h3-4,7,9-10H,5-6,8H2,1-2H3
InChIKeyIIQCOBWCVXQSKT-UHFFFAOYSA-N
MW191.27 g/mol
LogP3.29
Rot. Bonds2

About N-(furan-2-ylmethyl)-2,5-dimethylcyclopentan-1-imine

N-(furan-2-ylmethyl)-2,5-dimethylcyclopentan-1-imine (PubChem CID 21317040) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2,5-dimethylcyclopentan-1-imine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2,5-dimethylcyclopentan-1-imine
PubChem CID21317040
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC NameN-(furan-2-ylmethyl)-2,5-dimethylcyclopentan-1-imine
SMILESCC1CCC(C)C1=NCc1ccco1
InChIInChI=1S/C12H17NO/c1-9-5-6-10(2)12(9)13-8-11-4-3-7-14-11/h3-4,7,9-10H,5-6,8H2,1-2H3
InChIKeyIIQCOBWCVXQSKT-UHFFFAOYSA-N
XLogP3.29
TPSA25.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(furan-2-ylmethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136871639
2-(cyclobutylmethyl)furan
CID 139469251
3-ethyl-1-(furan-2-ylmethyl)pyrrolidine
CID 130727430
1-(furan-2-ylmethyl)-5-methylpyrrolidin-2-one
CID 21364431
2-N,6-N,8-N-tris(furan-2-ylmethyl)-5,7-dihydro-3H-purine-2,6,8-triimine
CID 135815390
N'-(furan-2-ylmethyl)-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111022379
1-(furan-2-ylmethyl)-N,N-dimethylpiperidin-4-amine
CID 91664788
1-(furan-2-ylmethyl)piperidine-3,4-dicarboxylic acid
CID 112568220
2-(furan-2-ylmethylimino)-5,5-dimethyl-1,3-thiazolidin-4-one
CID 137292355
(2R,3S)-1-(furan-2-ylmethyl)-2-methylpyrrolidine-3-carboxylic acid
CID 96615458
2-cyclopropyl-4-(furan-2-ylmethylimino)-1,3-dihydroquinazolin-2-amine
CID 175905688
1-ethyl-2-(furan-2-ylmethyl)-3-[(4-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 110937349

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2,5-dimethylcyclopentan-1-imine?
The IUPAC name of N-(furan-2-ylmethyl)-2,5-dimethylcyclopentan-1-imine (CID 21317040) is N-(furan-2-ylmethyl)-2,5-dimethylcyclopentan-1-imine.
What is the SMILES notation for N-(furan-2-ylmethyl)-2,5-dimethylcyclopentan-1-imine?
The canonical SMILES for N-(furan-2-ylmethyl)-2,5-dimethylcyclopentan-1-imine is CC1CCC(C)C1=NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2,5-dimethylcyclopentan-1-imine?
The InChIKey is IIQCOBWCVXQSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-9-5-6-10(2)12(9)13-8-11-4-3-7-14-11/h3-4,7,9-10H,5-6,8H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-2,5-dimethylcyclopentan-1-imine?
N-(furan-2-ylmethyl)-2,5-dimethylcyclopentan-1-imine has a molecular weight of 191.27 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2,5-dimethylcyclopentan-1-imine is sourced from PubChem (CID 21317040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).