N'-[(3-cyanophenyl)methyl]cyclopentanecarboximidamide

C14H17N3 — CID 63175813

IUPACN'-[(3-cyanophenyl)methyl]cyclopentanecarboximidamide
SMILESN#Cc1cccc(C/N=C(\N)C2CCCC2)c1
InChIInChI=1S/C14H17N3/c15-9-11-4-3-5-12(8-11)10-17-14(16)13-6-1-2-7-13/h3-5,8,13H,1-2,6-7,10H2,(H2,16,17)
InChIKeyLVLKGGWULKOWOA-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.61
Rot. Bonds3

About N'-[(3-cyanophenyl)methyl]cyclopentanecarboximidamide

N'-[(3-cyanophenyl)methyl]cyclopentanecarboximidamide (PubChem CID 63175813) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is N'-[(3-cyanophenyl)methyl]cyclopentanecarboximidamide.

Molecular Properties

Compound NameN'-[(3-cyanophenyl)methyl]cyclopentanecarboximidamide
PubChem CID63175813
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC NameN'-[(3-cyanophenyl)methyl]cyclopentanecarboximidamide
SMILESN#Cc1cccc(C/N=C(\N)C2CCCC2)c1
InChIInChI=1S/C14H17N3/c15-9-11-4-3-5-12(8-11)10-17-14(16)13-6-1-2-7-13/h3-5,8,13H,1-2,6-7,10H2,(H2,16,17)
InChIKeyLVLKGGWULKOWOA-UHFFFAOYSA-N
XLogP2.61
TPSA62.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-[(3-cyanophenyl)methyl]benzenecarboximidamide
CID 63175867
1-amino-2-[(3-cyanophenyl)methyl]-3-cyclopropylguanidine
CID 116513597
N-[(3-cyanophenyl)methyl]cyclopentanecarboxamide
CID 47161592
N'-[1-(3-cyanophenyl)ethoxy]cyclopentanecarboximidamide
CID 86819232
2-[(3-cyanophenyl)methyl]-1-ethyl-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine
CID 111371321
2-[(3-cyanophenyl)methyl]-1,3-diethylguanidine
CID 110915223
3-(cyclopentylsulfinylmethyl)benzonitrile
CID 63791036
2-[(3-cyanophenyl)methyl]-1-(2-methylpropyl)guanidine;hydroiodide
CID 110911955
2-[(3-cyanophenyl)methyl]-1-(3,4-dihydro-2H-chromen-4-yl)guanidine;hydroiodide
CID 111598517
2-[(3-cyanophenyl)methyl]-1-(2-cycloheptyloxyethyl)-3-ethylguanidine;hydroiodide
CID 111575690
2-[(3-cyanophenyl)methyl]-1-hexylguanidine
CID 111052214
3-[[(2-hydroxycyclohexyl)amino]methyl]benzonitrile
CID 55024109

Frequently Asked Questions

What is the IUPAC name of N'-[(3-cyanophenyl)methyl]cyclopentanecarboximidamide?
The IUPAC name of N'-[(3-cyanophenyl)methyl]cyclopentanecarboximidamide (CID 63175813) is N'-[(3-cyanophenyl)methyl]cyclopentanecarboximidamide.
What is the SMILES notation for N'-[(3-cyanophenyl)methyl]cyclopentanecarboximidamide?
The canonical SMILES for N'-[(3-cyanophenyl)methyl]cyclopentanecarboximidamide is N#Cc1cccc(C/N=C(\N)C2CCCC2)c1.
What is the InChIKey of N'-[(3-cyanophenyl)methyl]cyclopentanecarboximidamide?
The InChIKey is LVLKGGWULKOWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c15-9-11-4-3-5-12(8-11)10-17-14(16)13-6-1-2-7-13/h3-5,8,13H,1-2,6-7,10H2,(H2,16,17).
What are the key properties of N'-[(3-cyanophenyl)methyl]cyclopentanecarboximidamide?
N'-[(3-cyanophenyl)methyl]cyclopentanecarboximidamide has a molecular weight of 227.31 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-cyanophenyl)methyl]cyclopentanecarboximidamide is sourced from PubChem (CID 63175813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).