3-[(3-phenylcyclobutyl)amino]propanenitrile

C13H16N2 — CID 43632270

IUPAC3-[(3-phenylcyclobutyl)amino]propanenitrile
SMILESN#CCCNC1CC(c2ccccc2)C1
InChIInChI=1S/C13H16N2/c14-7-4-8-15-13-9-12(10-13)11-5-2-1-3-6-11/h1-3,5-6,12-13,15H,4,8-10H2
InChIKeyXSEXCPJIPAPDFH-UHFFFAOYSA-N
MW200.29 g/mol
LogP2.44
Rot. Bonds4

About 3-[(3-phenylcyclobutyl)amino]propanenitrile

3-[(3-phenylcyclobutyl)amino]propanenitrile (PubChem CID 43632270) has the molecular formula C13H16N2 and a molecular weight of 200.29 g/mol. Its IUPAC name is 3-[(3-phenylcyclobutyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[(3-phenylcyclobutyl)amino]propanenitrile
PubChem CID43632270
Molecular FormulaC13H16N2
Molecular Weight200.29 g/mol
Exact Mass200.13
IUPAC Name3-[(3-phenylcyclobutyl)amino]propanenitrile
SMILESN#CCCNC1CC(c2ccccc2)C1
InChIInChI=1S/C13H16N2/c14-7-4-8-15-13-9-12(10-13)11-5-2-1-3-6-11/h1-3,5-6,12-13,15H,4,8-10H2
InChIKeyXSEXCPJIPAPDFH-UHFFFAOYSA-N
XLogP2.44
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[3-(3-fluorophenyl)cyclobutyl]amino]propanenitrile
CID 43634823
3-(2,3-dihydro-1H-inden-2-ylamino)propanenitrile
CID 3030894
5-[(3-phenylcyclobutyl)amino]pentan-1-ol
CID 107303071
3-phenyl-N-(4,4,4-trifluorobutyl)cyclobutan-1-amine
CID 115516339
N-[2-[(3-phenylcyclobutyl)amino]ethyl]acetamide
CID 43632255
N-[2-(azepan-1-yl)ethyl]-3-phenylcyclobutan-1-amine
CID 61240000
N-[2-(4-fluorophenyl)ethyl]-3-phenylcyclobutan-1-amine
CID 43632093
N'-ethyl-N'-methyl-N-(3-phenylcyclobutyl)ethane-1,2-diamine
CID 55097698
N-(5-methylsulfanylpentyl)-3-phenylcyclobutan-1-amine
CID 104926345
N-methyl-2-[(3-phenylcyclobutyl)amino]ethanesulfonamide
CID 102676035
N-[3-(cyclopropylmethoxy)propyl]-3-phenylcyclobutan-1-amine
CID 43632261
N-cyclopropyl-3-[(3-phenylcyclobutyl)amino]propanamide
CID 79386458

Frequently Asked Questions

What is the IUPAC name of 3-[(3-phenylcyclobutyl)amino]propanenitrile?
The IUPAC name of 3-[(3-phenylcyclobutyl)amino]propanenitrile (CID 43632270) is 3-[(3-phenylcyclobutyl)amino]propanenitrile.
What is the SMILES notation for 3-[(3-phenylcyclobutyl)amino]propanenitrile?
The canonical SMILES for 3-[(3-phenylcyclobutyl)amino]propanenitrile is N#CCCNC1CC(c2ccccc2)C1.
What is the InChIKey of 3-[(3-phenylcyclobutyl)amino]propanenitrile?
The InChIKey is XSEXCPJIPAPDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c14-7-4-8-15-13-9-12(10-13)11-5-2-1-3-6-11/h1-3,5-6,12-13,15H,4,8-10H2.
What are the key properties of 3-[(3-phenylcyclobutyl)amino]propanenitrile?
3-[(3-phenylcyclobutyl)amino]propanenitrile has a molecular weight of 200.29 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-phenylcyclobutyl)amino]propanenitrile is sourced from PubChem (CID 43632270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).