N,N-diethyl-1-phenylcyclobutane-1-carboximidamide

C15H22N2 — CID 63179800

IUPACN,N-diethyl-1-phenylcyclobutane-1-carboximidamide
SMILES[H]/N=C(\N(CC)CC)C1(c2ccccc2)CCC1
InChIInChI=1S/C15H22N2/c1-3-17(4-2)14(16)15(11-8-12-15)13-9-6-5-7-10-13/h5-7,9-10,16H,3-4,8,11-12H2,1-2H3/b16-14-
InChIKeyYJHSOSZJNCGUTB-PEZBUJJGSA-N
MW230.35 g/mol
LogP3.43
Rot. Bonds4

About N,N-diethyl-1-phenylcyclobutane-1-carboximidamide

N,N-diethyl-1-phenylcyclobutane-1-carboximidamide (PubChem CID 63179800) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N,N-diethyl-1-phenylcyclobutane-1-carboximidamide.

Molecular Properties

Compound NameN,N-diethyl-1-phenylcyclobutane-1-carboximidamide
PubChem CID63179800
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC NameN,N-diethyl-1-phenylcyclobutane-1-carboximidamide
SMILES[H]/N=C(\N(CC)CC)C1(c2ccccc2)CCC1
InChIInChI=1S/C15H22N2/c1-3-17(4-2)14(16)15(11-8-12-15)13-9-6-5-7-10-13/h5-7,9-10,16H,3-4,8,11-12H2,1-2H3/b16-14-
InChIKeyYJHSOSZJNCGUTB-PEZBUJJGSA-N
XLogP3.43
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.43
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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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-phenylcyclobutane-1-carboximidamide?
The IUPAC name of N,N-diethyl-1-phenylcyclobutane-1-carboximidamide (CID 63179800) is N,N-diethyl-1-phenylcyclobutane-1-carboximidamide.
What is the SMILES notation for N,N-diethyl-1-phenylcyclobutane-1-carboximidamide?
The canonical SMILES for N,N-diethyl-1-phenylcyclobutane-1-carboximidamide is [H]/N=C(\N(CC)CC)C1(c2ccccc2)CCC1.
What is the InChIKey of N,N-diethyl-1-phenylcyclobutane-1-carboximidamide?
The InChIKey is YJHSOSZJNCGUTB-PEZBUJJGSA-N. The full InChI is InChI=1S/C15H22N2/c1-3-17(4-2)14(16)15(11-8-12-15)13-9-6-5-7-10-13/h5-7,9-10,16H,3-4,8,11-12H2,1-2H3/b16-14-.
What are the key properties of N,N-diethyl-1-phenylcyclobutane-1-carboximidamide?
N,N-diethyl-1-phenylcyclobutane-1-carboximidamide has a molecular weight of 230.35 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-phenylcyclobutane-1-carboximidamide is sourced from PubChem (CID 63179800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).