2-(oxepan-4-ylamino)cyclopentane-1-carbonitrile

C12H20N2O — CID 65078874

IUPAC2-(oxepan-4-ylamino)cyclopentane-1-carbonitrile
SMILESN#CC1CCCC1NC1CCCOCC1
InChIInChI=1S/C12H20N2O/c13-9-10-3-1-5-12(10)14-11-4-2-7-15-8-6-11/h10-12,14H,1-8H2
InChIKeyFTUACUODWKSADA-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.84
Rot. Bonds2

About 2-(oxepan-4-ylamino)cyclopentane-1-carbonitrile

2-(oxepan-4-ylamino)cyclopentane-1-carbonitrile (PubChem CID 65078874) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-(oxepan-4-ylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-(oxepan-4-ylamino)cyclopentane-1-carbonitrile
PubChem CID65078874
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2-(oxepan-4-ylamino)cyclopentane-1-carbonitrile
SMILESN#CC1CCCC1NC1CCCOCC1
InChIInChI=1S/C12H20N2O/c13-9-10-3-1-5-12(10)14-11-4-2-7-15-8-6-11/h10-12,14H,1-8H2
InChIKeyFTUACUODWKSADA-UHFFFAOYSA-N
XLogP1.84
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(oxepan-4-ylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 2-(oxepan-4-ylamino)cyclopentane-1-carbonitrile (CID 65078874) is 2-(oxepan-4-ylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-(oxepan-4-ylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-(oxepan-4-ylamino)cyclopentane-1-carbonitrile is N#CC1CCCC1NC1CCCOCC1.
What is the InChIKey of 2-(oxepan-4-ylamino)cyclopentane-1-carbonitrile?
The InChIKey is FTUACUODWKSADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c13-9-10-3-1-5-12(10)14-11-4-2-7-15-8-6-11/h10-12,14H,1-8H2.
What are the key properties of 2-(oxepan-4-ylamino)cyclopentane-1-carbonitrile?
2-(oxepan-4-ylamino)cyclopentane-1-carbonitrile has a molecular weight of 208.30 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxepan-4-ylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 65078874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).