N'-cyclopropyl-1-phenylcyclobutane-1-carboximidamide

C14H18N2 — CID 63181534

IUPACN'-cyclopropyl-1-phenylcyclobutane-1-carboximidamide
SMILESN/C(=N\C1CC1)C1(c2ccccc2)CCC1
InChIInChI=1S/C14H18N2/c15-13(16-12-7-8-12)14(9-4-10-14)11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H2,15,16)
InChIKeyUXJAFXLINHZNTK-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.63
Rot. Bonds3

About N'-cyclopropyl-1-phenylcyclobutane-1-carboximidamide

N'-cyclopropyl-1-phenylcyclobutane-1-carboximidamide (PubChem CID 63181534) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N'-cyclopropyl-1-phenylcyclobutane-1-carboximidamide.

Molecular Properties

Compound NameN'-cyclopropyl-1-phenylcyclobutane-1-carboximidamide
PubChem CID63181534
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC NameN'-cyclopropyl-1-phenylcyclobutane-1-carboximidamide
SMILESN/C(=N\C1CC1)C1(c2ccccc2)CCC1
InChIInChI=1S/C14H18N2/c15-13(16-12-7-8-12)14(9-4-10-14)11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H2,15,16)
InChIKeyUXJAFXLINHZNTK-UHFFFAOYSA-N
XLogP2.63
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.63
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'-hydroxy-1-phenylcyclopentane-1-carboximidamide
CID 87165177
N'-hydroxy-1-phenylcyclopropane-1-carboximidamide
CID 59395631
1-phenylcyclobutane-1-carboximidamide
CID 46941849
1-phenylcyclopentane-1-carboxamide;dihydrochloride
CID 142770378
N'-ethyl-1-phenylcyclopropane-1-carboximidamide
CID 63181213
N'-cyclopropylbenzenecarboximidamide
CID 12916005
(4-aminopiperidin-1-yl)-(1-phenylcyclobutyl)methanone;hydrochloride
CID 119374083
N-[2-(aminomethyl)cyclopentyl]-1-phenylcyclobutane-1-carboxamide
CID 119602028
cyclohexyl 1-phenylcyclohexane-1-carboxylate
CID 54206862
2-(4-carbamoyl-4-phenylcyclohexyl)acetic acid
CID 115048821
4-carbamoyl-4-phenylcyclohexane-1-carboxylic acid
CID 115046067
1-phenylcyclopropane-1-carboxamide;hydrochloride
CID 57461944

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-1-phenylcyclobutane-1-carboximidamide?
The IUPAC name of N'-cyclopropyl-1-phenylcyclobutane-1-carboximidamide (CID 63181534) is N'-cyclopropyl-1-phenylcyclobutane-1-carboximidamide.
What is the SMILES notation for N'-cyclopropyl-1-phenylcyclobutane-1-carboximidamide?
The canonical SMILES for N'-cyclopropyl-1-phenylcyclobutane-1-carboximidamide is N/C(=N\C1CC1)C1(c2ccccc2)CCC1.
What is the InChIKey of N'-cyclopropyl-1-phenylcyclobutane-1-carboximidamide?
The InChIKey is UXJAFXLINHZNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c15-13(16-12-7-8-12)14(9-4-10-14)11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H2,15,16).
What are the key properties of N'-cyclopropyl-1-phenylcyclobutane-1-carboximidamide?
N'-cyclopropyl-1-phenylcyclobutane-1-carboximidamide has a molecular weight of 214.31 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-1-phenylcyclobutane-1-carboximidamide is sourced from PubChem (CID 63181534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).