N'-(1-phenylpropan-2-yl)cyclopentanecarboximidamide

C15H22N2 — CID 63181794

IUPACN'-(1-phenylpropan-2-yl)cyclopentanecarboximidamide
SMILESCC(Cc1ccccc1)/N=C(\N)C1CCCC1
InChIInChI=1S/C15H22N2/c1-12(11-13-7-3-2-4-8-13)17-15(16)14-9-5-6-10-14/h2-4,7-8,12,14H,5-6,9-11H2,1H3,(H2,16,17)
InChIKeyBBRGFJIVEOWHGX-UHFFFAOYSA-N
MW230.36 g/mol
LogP3.16
Rot. Bonds4

About N'-(1-phenylpropan-2-yl)cyclopentanecarboximidamide

N'-(1-phenylpropan-2-yl)cyclopentanecarboximidamide (PubChem CID 63181794) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is N'-(1-phenylpropan-2-yl)cyclopentanecarboximidamide.

Molecular Properties

Compound NameN'-(1-phenylpropan-2-yl)cyclopentanecarboximidamide
PubChem CID63181794
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC NameN'-(1-phenylpropan-2-yl)cyclopentanecarboximidamide
SMILESCC(Cc1ccccc1)/N=C(\N)C1CCCC1
InChIInChI=1S/C15H22N2/c1-12(11-13-7-3-2-4-8-13)17-15(16)14-9-5-6-10-14/h2-4,7-8,12,14H,5-6,9-11H2,1H3,(H2,16,17)
InChIKeyBBRGFJIVEOWHGX-UHFFFAOYSA-N
XLogP3.16
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 53.16
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'-[1-(4-fluorophenyl)propan-2-yl]cyclopropanecarboximidamide
CID 63181376
N'-(4-methylpentan-2-yl)cyclohexanecarboximidamide
CID 63175463
1-tert-butyl-2-(1-phenylpropan-2-yl)guanidine
CID 63012485
N'-(3-phenylpropyl)cyclohexanecarboximidamide
CID 63175493
2-amino-1-cyclooctyl-3-phenylpropan-1-one
CID 139435291
2-cyclohexylpropylbenzene
CID 15846297
N'-(2-methyl-1-thiophen-2-ylpropyl)cyclopentanecarboximidamide
CID 55158432
ethyl N-(1-phenylpropan-2-yl)benzenecarboximidate
CID 23330240
λ2-plumbane;1-phenylpropan-2-amine
CID 174896483
N'-(1-pyridin-4-ylethyl)cyclohexanecarboximidamide
CID 55160157
ethyl (2R)-2-benzyl-3-cyclohexyl-3-oxopropanoate
CID 134946670
N'-(1-cyclohexylethyl)cyclohexanecarboximidamide
CID 63178475

Frequently Asked Questions

What is the IUPAC name of N'-(1-phenylpropan-2-yl)cyclopentanecarboximidamide?
The IUPAC name of N'-(1-phenylpropan-2-yl)cyclopentanecarboximidamide (CID 63181794) is N'-(1-phenylpropan-2-yl)cyclopentanecarboximidamide.
What is the SMILES notation for N'-(1-phenylpropan-2-yl)cyclopentanecarboximidamide?
The canonical SMILES for N'-(1-phenylpropan-2-yl)cyclopentanecarboximidamide is CC(Cc1ccccc1)/N=C(\N)C1CCCC1.
What is the InChIKey of N'-(1-phenylpropan-2-yl)cyclopentanecarboximidamide?
The InChIKey is BBRGFJIVEOWHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-12(11-13-7-3-2-4-8-13)17-15(16)14-9-5-6-10-14/h2-4,7-8,12,14H,5-6,9-11H2,1H3,(H2,16,17).
What are the key properties of N'-(1-phenylpropan-2-yl)cyclopentanecarboximidamide?
N'-(1-phenylpropan-2-yl)cyclopentanecarboximidamide has a molecular weight of 230.36 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-phenylpropan-2-yl)cyclopentanecarboximidamide is sourced from PubChem (CID 63181794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).