N-[(4-aminophenyl)methyl]-N-cyclopropylcyclopropanecarboxamide

C14H18N2O — CID 43460560

IUPACN-[(4-aminophenyl)methyl]-N-cyclopropylcyclopropanecarboxamide
SMILESNc1ccc(CN(C(=O)C2CC2)C2CC2)cc1
InChIInChI=1S/C14H18N2O/c15-12-5-1-10(2-6-12)9-16(13-7-8-13)14(17)11-3-4-11/h1-2,5-6,11,13H,3-4,7-9,15H2
InChIKeyAKYZSVZBFGQIFP-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.17
Rot. Bonds4

About N-[(4-aminophenyl)methyl]-N-cyclopropylcyclopropanecarboxamide

N-[(4-aminophenyl)methyl]-N-cyclopropylcyclopropanecarboxamide (PubChem CID 43460560) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-N-cyclopropylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-N-cyclopropylcyclopropanecarboxamide
PubChem CID43460560
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN-[(4-aminophenyl)methyl]-N-cyclopropylcyclopropanecarboxamide
SMILESNc1ccc(CN(C(=O)C2CC2)C2CC2)cc1
InChIInChI=1S/C14H18N2O/c15-12-5-1-10(2-6-12)9-16(13-7-8-13)14(17)11-3-4-11/h1-2,5-6,11,13H,3-4,7-9,15H2
InChIKeyAKYZSVZBFGQIFP-UHFFFAOYSA-N
XLogP2.17
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-N-cyclopropylcyclopropanecarboxamide?
The IUPAC name of N-[(4-aminophenyl)methyl]-N-cyclopropylcyclopropanecarboxamide (CID 43460560) is N-[(4-aminophenyl)methyl]-N-cyclopropylcyclopropanecarboxamide.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-N-cyclopropylcyclopropanecarboxamide?
The canonical SMILES for N-[(4-aminophenyl)methyl]-N-cyclopropylcyclopropanecarboxamide is Nc1ccc(CN(C(=O)C2CC2)C2CC2)cc1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-N-cyclopropylcyclopropanecarboxamide?
The InChIKey is AKYZSVZBFGQIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c15-12-5-1-10(2-6-12)9-16(13-7-8-13)14(17)11-3-4-11/h1-2,5-6,11,13H,3-4,7-9,15H2.
What are the key properties of N-[(4-aminophenyl)methyl]-N-cyclopropylcyclopropanecarboxamide?
N-[(4-aminophenyl)methyl]-N-cyclopropylcyclopropanecarboxamide has a molecular weight of 230.31 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-N-cyclopropylcyclopropanecarboxamide is sourced from PubChem (CID 43460560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).