N-ethyl-N-(4-methylphenyl)cyclopentanecarboximidamide

C15H22N2 — CID 63176335

IUPACN-ethyl-N-(4-methylphenyl)cyclopentanecarboximidamide
SMILES[H]/N=C(\C1CCCC1)N(CC)c1ccc(C)cc1
InChIInChI=1S/C15H22N2/c1-3-17(14-10-8-12(2)9-11-14)15(16)13-6-4-5-7-13/h8-11,13,16H,3-7H2,1-2H3/b16-15+
InChIKeyRBBDAJLJLBQIBY-FOCLMDBBSA-N
MW230.36 g/mol
LogP3.99
Rot. Bonds3

About N-ethyl-N-(4-methylphenyl)cyclopentanecarboximidamide

N-ethyl-N-(4-methylphenyl)cyclopentanecarboximidamide (PubChem CID 63176335) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is N-ethyl-N-(4-methylphenyl)cyclopentanecarboximidamide.

Molecular Properties

Compound NameN-ethyl-N-(4-methylphenyl)cyclopentanecarboximidamide
PubChem CID63176335
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC NameN-ethyl-N-(4-methylphenyl)cyclopentanecarboximidamide
SMILES[H]/N=C(\C1CCCC1)N(CC)c1ccc(C)cc1
InChIInChI=1S/C15H22N2/c1-3-17(14-10-8-12(2)9-11-14)15(16)13-6-4-5-7-13/h8-11,13,16H,3-7H2,1-2H3/b16-15+
InChIKeyRBBDAJLJLBQIBY-FOCLMDBBSA-N
XLogP3.99
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-ethyl-N-(4-methylphenyl)butanimidamide
CID 63177233
3-amino-N-ethyl-N-(4-methylphenyl)cyclohexane-1-carboxamide
CID 63046107
N-(3,5-dimethylphenyl)-N-methylcyclohexanecarboximidamide
CID 63177863
N-cyclopentyl-N-ethylcyclohexanecarboximidamide
CID 63175660
ethyl-(4-methylphenyl)carbamodithioic acid
CID 154283267
N-ethyl-N-(4-methylphenyl)azepane-1-carboxamide
CID 116655376
3-[ethyl-(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103550633
N-ethyl-N-(4-methylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119280403
N-butan-2-yl-N-ethylcyclopentanecarboximidamide
CID 63176258
(2R)-N-ethyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide
CID 103794860
N-ethyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119706995
ethane;N-ethyl-N-(4-methylphenyl)acetamide
CID 143607666

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(4-methylphenyl)cyclopentanecarboximidamide?
The IUPAC name of N-ethyl-N-(4-methylphenyl)cyclopentanecarboximidamide (CID 63176335) is N-ethyl-N-(4-methylphenyl)cyclopentanecarboximidamide.
What is the SMILES notation for N-ethyl-N-(4-methylphenyl)cyclopentanecarboximidamide?
The canonical SMILES for N-ethyl-N-(4-methylphenyl)cyclopentanecarboximidamide is [H]/N=C(\C1CCCC1)N(CC)c1ccc(C)cc1.
What is the InChIKey of N-ethyl-N-(4-methylphenyl)cyclopentanecarboximidamide?
The InChIKey is RBBDAJLJLBQIBY-FOCLMDBBSA-N. The full InChI is InChI=1S/C15H22N2/c1-3-17(14-10-8-12(2)9-11-14)15(16)13-6-4-5-7-13/h8-11,13,16H,3-7H2,1-2H3/b16-15+.
What are the key properties of N-ethyl-N-(4-methylphenyl)cyclopentanecarboximidamide?
N-ethyl-N-(4-methylphenyl)cyclopentanecarboximidamide has a molecular weight of 230.36 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4-methylphenyl)cyclopentanecarboximidamide is sourced from PubChem (CID 63176335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).