2-[ethyl(oxolan-2-ylmethyl)amino]cycloheptane-1-carbonitrile

C15H26N2O — CID 61434208

IUPAC2-[ethyl(oxolan-2-ylmethyl)amino]cycloheptane-1-carbonitrile
SMILESCCN(CC1CCCO1)C1CCCCCC1C#N
InChIInChI=1S/C15H26N2O/c1-2-17(12-14-8-6-10-18-14)15-9-5-3-4-7-13(15)11-16/h13-15H,2-10,12H2,1H3
InChIKeyBCDQISXGZCDMAC-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.96
Rot. Bonds4

About 2-[ethyl(oxolan-2-ylmethyl)amino]cycloheptane-1-carbonitrile

2-[ethyl(oxolan-2-ylmethyl)amino]cycloheptane-1-carbonitrile (PubChem CID 61434208) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-[ethyl(oxolan-2-ylmethyl)amino]cycloheptane-1-carbonitrile.

Molecular Properties

Compound Name2-[ethyl(oxolan-2-ylmethyl)amino]cycloheptane-1-carbonitrile
PubChem CID61434208
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-[ethyl(oxolan-2-ylmethyl)amino]cycloheptane-1-carbonitrile
SMILESCCN(CC1CCCO1)C1CCCCCC1C#N
InChIInChI=1S/C15H26N2O/c1-2-17(12-14-8-6-10-18-14)15-9-5-3-4-7-13(15)11-16/h13-15H,2-10,12H2,1H3
InChIKeyBCDQISXGZCDMAC-UHFFFAOYSA-N
XLogP2.96
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[ethyl(oxolan-2-ylmethyl)amino]cycloheptane-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(oxolan-2-ylmethyl)amino]cycloheptane-1-carbonitrile?
The IUPAC name of 2-[ethyl(oxolan-2-ylmethyl)amino]cycloheptane-1-carbonitrile (CID 61434208) is 2-[ethyl(oxolan-2-ylmethyl)amino]cycloheptane-1-carbonitrile.
What is the SMILES notation for 2-[ethyl(oxolan-2-ylmethyl)amino]cycloheptane-1-carbonitrile?
The canonical SMILES for 2-[ethyl(oxolan-2-ylmethyl)amino]cycloheptane-1-carbonitrile is CCN(CC1CCCO1)C1CCCCCC1C#N.
What is the InChIKey of 2-[ethyl(oxolan-2-ylmethyl)amino]cycloheptane-1-carbonitrile?
The InChIKey is BCDQISXGZCDMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-2-17(12-14-8-6-10-18-14)15-9-5-3-4-7-13(15)11-16/h13-15H,2-10,12H2,1H3.
What are the key properties of 2-[ethyl(oxolan-2-ylmethyl)amino]cycloheptane-1-carbonitrile?
2-[ethyl(oxolan-2-ylmethyl)amino]cycloheptane-1-carbonitrile has a molecular weight of 250.39 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(oxolan-2-ylmethyl)amino]cycloheptane-1-carbonitrile is sourced from PubChem (CID 61434208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).