1-phenylcyclobutane-1-carboximidamide

C11H14N2 — CID 46941849

IUPAC1-phenylcyclobutane-1-carboximidamide
SMILES[H]/N=C(\N)C1(c2ccccc2)CCC1
InChIInChI=1S/C11H14N2/c12-10(13)11(7-4-8-11)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H3,12,13)
InChIKeyIGMOSBAMSAZCBJ-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.04
Rot. Bonds2

About 1-phenylcyclobutane-1-carboximidamide

1-phenylcyclobutane-1-carboximidamide (PubChem CID 46941849) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 1-phenylcyclobutane-1-carboximidamide.

Molecular Properties

Compound Name1-phenylcyclobutane-1-carboximidamide
PubChem CID46941849
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name1-phenylcyclobutane-1-carboximidamide
SMILES[H]/N=C(\N)C1(c2ccccc2)CCC1
InChIInChI=1S/C11H14N2/c12-10(13)11(7-4-8-11)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H3,12,13)
InChIKeyIGMOSBAMSAZCBJ-UHFFFAOYSA-N
XLogP2.04
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.04
H-Bond Donors ≤ 52
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

1-(1-phenylcyclobutyl)ethanimine
CID 58488751
ethyl 1-phenylcyclobutane-1-carboximidate
CID 63079703
(1-phenylcyclobutyl)-piperidin-1-ylmethanimine
CID 63179669
N,N-diethyl-1-phenylcyclobutane-1-carboximidamide
CID 63179800
N,N-dimethyl-1-phenylcyclopentane-1-carboximidamide
CID 63179364
1-phenylcyclopentane-1-carboxamide;dihydrochloride
CID 142770378
(1-phenylcyclohexyl)-pyrrolidin-1-ylmethanimine
CID 63179177
N'-hydroxy-1-phenylcyclopentane-1-carboximidamide
CID 87165177
N'-cyclopropyl-1-phenylcyclobutane-1-carboximidamide
CID 63181534
ethyl 1-phenylcyclopropane-1-carboximidate
CID 63079702
2-imino-1-(1-phenylcyclohexyl)ethanone
CID 90858515
azane;1-phenylcyclobutan-1-ol
CID 175547532

Frequently Asked Questions

What is the IUPAC name of 1-phenylcyclobutane-1-carboximidamide?
The IUPAC name of 1-phenylcyclobutane-1-carboximidamide (CID 46941849) is 1-phenylcyclobutane-1-carboximidamide.
What is the SMILES notation for 1-phenylcyclobutane-1-carboximidamide?
The canonical SMILES for 1-phenylcyclobutane-1-carboximidamide is [H]/N=C(\N)C1(c2ccccc2)CCC1.
What is the InChIKey of 1-phenylcyclobutane-1-carboximidamide?
The InChIKey is IGMOSBAMSAZCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c12-10(13)11(7-4-8-11)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H3,12,13).
What are the key properties of 1-phenylcyclobutane-1-carboximidamide?
1-phenylcyclobutane-1-carboximidamide has a molecular weight of 174.25 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylcyclobutane-1-carboximidamide is sourced from PubChem (CID 46941849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).