1-phenylcyclopropane-1-carbonitrile;(1-phenylcyclopropyl)methanamine

C20H22N2 — CID 161485894

IUPAC1-phenylcyclopropane-1-carbonitrile;(1-phenylcyclopropyl)methanamine
SMILESN#CC1(c2ccccc2)CC1.NCC1(c2ccccc2)CC1
InChIInChI=1S/C10H13N.C10H9N/c2*11-8-10(6-7-10)9-4-2-1-3-5-9/h1-5H,6-8,11H2;1-5H,6-7H2
InChIKeyWEYWJXDPHFZPCF-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.92
Rot. Bonds3

About 1-phenylcyclopropane-1-carbonitrile;(1-phenylcyclopropyl)methanamine

1-phenylcyclopropane-1-carbonitrile;(1-phenylcyclopropyl)methanamine (PubChem CID 161485894) has the molecular formula C20H22N2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-phenylcyclopropane-1-carbonitrile;(1-phenylcyclopropyl)methanamine.

Molecular Properties

Compound Name1-phenylcyclopropane-1-carbonitrile;(1-phenylcyclopropyl)methanamine
PubChem CID161485894
Molecular FormulaC20H22N2
Molecular Weight290.41 g/mol
Exact Mass290.18
IUPAC Name1-phenylcyclopropane-1-carbonitrile;(1-phenylcyclopropyl)methanamine
SMILESN#CC1(c2ccccc2)CC1.NCC1(c2ccccc2)CC1
InChIInChI=1S/C10H13N.C10H9N/c2*11-8-10(6-7-10)9-4-2-1-3-5-9/h1-5H,6-8,11H2;1-5H,6-7H2
InChIKeyWEYWJXDPHFZPCF-UHFFFAOYSA-N
XLogP3.92
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenylcyclopropane-1-carbonitrile;(1-phenylcyclopropyl)methanamine?
The IUPAC name of 1-phenylcyclopropane-1-carbonitrile;(1-phenylcyclopropyl)methanamine (CID 161485894) is 1-phenylcyclopropane-1-carbonitrile;(1-phenylcyclopropyl)methanamine.
What is the SMILES notation for 1-phenylcyclopropane-1-carbonitrile;(1-phenylcyclopropyl)methanamine?
The canonical SMILES for 1-phenylcyclopropane-1-carbonitrile;(1-phenylcyclopropyl)methanamine is N#CC1(c2ccccc2)CC1.NCC1(c2ccccc2)CC1.
What is the InChIKey of 1-phenylcyclopropane-1-carbonitrile;(1-phenylcyclopropyl)methanamine?
The InChIKey is WEYWJXDPHFZPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N.C10H9N/c2*11-8-10(6-7-10)9-4-2-1-3-5-9/h1-5H,6-8,11H2;1-5H,6-7H2.
What are the key properties of 1-phenylcyclopropane-1-carbonitrile;(1-phenylcyclopropyl)methanamine?
1-phenylcyclopropane-1-carbonitrile;(1-phenylcyclopropyl)methanamine has a molecular weight of 290.41 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylcyclopropane-1-carbonitrile;(1-phenylcyclopropyl)methanamine is sourced from PubChem (CID 161485894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).