5-(3-phenoxypropylamino)pentanenitrile

C14H20N2O — CID 60697093

IUPAC5-(3-phenoxypropylamino)pentanenitrile
SMILESN#CCCCCNCCCOc1ccccc1
InChIInChI=1S/C14H20N2O/c15-10-5-2-6-11-16-12-7-13-17-14-8-3-1-4-9-14/h1,3-4,8-9,16H,2,5-7,11-13H2
InChIKeyBFDCADBWKDOWPN-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.74
Rot. Bonds9

About 5-(3-phenoxypropylamino)pentanenitrile

5-(3-phenoxypropylamino)pentanenitrile (PubChem CID 60697093) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 5-(3-phenoxypropylamino)pentanenitrile.

Molecular Properties

Compound Name5-(3-phenoxypropylamino)pentanenitrile
PubChem CID60697093
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name5-(3-phenoxypropylamino)pentanenitrile
SMILESN#CCCCCNCCCOc1ccccc1
InChIInChI=1S/C14H20N2O/c15-10-5-2-6-11-16-12-7-13-17-14-8-3-1-4-9-14/h1,3-4,8-9,16H,2,5-7,11-13H2
InChIKeyBFDCADBWKDOWPN-UHFFFAOYSA-N
XLogP2.74
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3-phenoxypropylamino)butanenitrile
CID 60696999
3-phenoxy-N-(3-phenoxypropyl)propan-1-amine;hydrochloride
CID 18793133
5-[[3-(3-cyanopropoxy)phenyl]methylamino]pentanenitrile
CID 119115335
4-bromo-N-(2-phenoxyethyl)butan-1-amine
CID 106844867
7-methyl-N-(3-phenoxypropyl)octan-1-amine
CID 103604921
7-[4-[10-[4-(6-cyanohexoxy)phenoxy]decoxy]phenoxy]heptanenitrile
CID 102361526
N-(2-phenoxyethyl)-3-propan-2-yloxypropan-1-amine
CID 60691183
N'-(2-methylpropyl)-N-(3-phenoxypropyl)ethane-1,2-diamine
CID 113405493
N-(3-cyanopropyl)-3-phenoxypropanamide
CID 62666822
N-(2,2-difluoroethyl)-3-phenoxypropan-1-amine
CID 62380605
4-chloro-N-(3-phenoxypropyl)pentan-1-amine
CID 106122013
N-benzyl-3-phenoxypropan-1-amine
CID 13291924

Frequently Asked Questions

What is the IUPAC name of 5-(3-phenoxypropylamino)pentanenitrile?
The IUPAC name of 5-(3-phenoxypropylamino)pentanenitrile (CID 60697093) is 5-(3-phenoxypropylamino)pentanenitrile.
What is the SMILES notation for 5-(3-phenoxypropylamino)pentanenitrile?
The canonical SMILES for 5-(3-phenoxypropylamino)pentanenitrile is N#CCCCCNCCCOc1ccccc1.
What is the InChIKey of 5-(3-phenoxypropylamino)pentanenitrile?
The InChIKey is BFDCADBWKDOWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c15-10-5-2-6-11-16-12-7-13-17-14-8-3-1-4-9-14/h1,3-4,8-9,16H,2,5-7,11-13H2.
What are the key properties of 5-(3-phenoxypropylamino)pentanenitrile?
5-(3-phenoxypropylamino)pentanenitrile has a molecular weight of 232.33 g/mol, XLogP of 2.74, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-phenoxypropylamino)pentanenitrile is sourced from PubChem (CID 60697093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).