N'-[4-(diethylamino)phenyl]cyclopropanecarboximidamide

C14H21N3 — CID 63181038

IUPACN'-[4-(diethylamino)phenyl]cyclopropanecarboximidamide
SMILESCCN(CC)c1ccc(/N=C(\N)C2CC2)cc1
InChIInChI=1S/C14H21N3/c1-3-17(4-2)13-9-7-12(8-10-13)16-14(15)11-5-6-11/h7-11H,3-6H2,1-2H3,(H2,15,16)
InChIKeyVZFIRARCYBIDLK-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.93
Rot. Bonds5

About N'-[4-(diethylamino)phenyl]cyclopropanecarboximidamide

N'-[4-(diethylamino)phenyl]cyclopropanecarboximidamide (PubChem CID 63181038) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is N'-[4-(diethylamino)phenyl]cyclopropanecarboximidamide.

Molecular Properties

Compound NameN'-[4-(diethylamino)phenyl]cyclopropanecarboximidamide
PubChem CID63181038
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC NameN'-[4-(diethylamino)phenyl]cyclopropanecarboximidamide
SMILESCCN(CC)c1ccc(/N=C(\N)C2CC2)cc1
InChIInChI=1S/C14H21N3/c1-3-17(4-2)13-9-7-12(8-10-13)16-14(15)11-5-6-11/h7-11H,3-6H2,1-2H3,(H2,15,16)
InChIKeyVZFIRARCYBIDLK-UHFFFAOYSA-N
XLogP2.93
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'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'-[4-(diethylamino)phenyl]cyclopropanecarboximidamide?
The IUPAC name of N'-[4-(diethylamino)phenyl]cyclopropanecarboximidamide (CID 63181038) is N'-[4-(diethylamino)phenyl]cyclopropanecarboximidamide.
What is the SMILES notation for N'-[4-(diethylamino)phenyl]cyclopropanecarboximidamide?
The canonical SMILES for N'-[4-(diethylamino)phenyl]cyclopropanecarboximidamide is CCN(CC)c1ccc(/N=C(\N)C2CC2)cc1.
What is the InChIKey of N'-[4-(diethylamino)phenyl]cyclopropanecarboximidamide?
The InChIKey is VZFIRARCYBIDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-3-17(4-2)13-9-7-12(8-10-13)16-14(15)11-5-6-11/h7-11H,3-6H2,1-2H3,(H2,15,16).
What are the key properties of N'-[4-(diethylamino)phenyl]cyclopropanecarboximidamide?
N'-[4-(diethylamino)phenyl]cyclopropanecarboximidamide has a molecular weight of 231.34 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(diethylamino)phenyl]cyclopropanecarboximidamide is sourced from PubChem (CID 63181038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).