2-[ethyl(oxolan-2-ylmethyl)amino]-4-propylcyclohexane-1-carbonitrile

C17H30N2O — CID 61434257

IUPAC2-[ethyl(oxolan-2-ylmethyl)amino]-4-propylcyclohexane-1-carbonitrile
SMILESCCCC1CCC(C#N)C(N(CC)CC2CCCO2)C1
InChIInChI=1S/C17H30N2O/c1-3-6-14-8-9-15(12-18)17(11-14)19(4-2)13-16-7-5-10-20-16/h14-17H,3-11,13H2,1-2H3
InChIKeyCITQVXKKKADVSJ-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.60
Rot. Bonds6

About 2-[ethyl(oxolan-2-ylmethyl)amino]-4-propylcyclohexane-1-carbonitrile

2-[ethyl(oxolan-2-ylmethyl)amino]-4-propylcyclohexane-1-carbonitrile (PubChem CID 61434257) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-[ethyl(oxolan-2-ylmethyl)amino]-4-propylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-[ethyl(oxolan-2-ylmethyl)amino]-4-propylcyclohexane-1-carbonitrile
PubChem CID61434257
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name2-[ethyl(oxolan-2-ylmethyl)amino]-4-propylcyclohexane-1-carbonitrile
SMILESCCCC1CCC(C#N)C(N(CC)CC2CCCO2)C1
InChIInChI=1S/C17H30N2O/c1-3-6-14-8-9-15(12-18)17(11-14)19(4-2)13-16-7-5-10-20-16/h14-17H,3-11,13H2,1-2H3
InChIKeyCITQVXKKKADVSJ-UHFFFAOYSA-N
XLogP3.60
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(oxolan-2-ylmethyl)amino]-4-propylcyclohexane-1-carbonitrile?
The IUPAC name of 2-[ethyl(oxolan-2-ylmethyl)amino]-4-propylcyclohexane-1-carbonitrile (CID 61434257) is 2-[ethyl(oxolan-2-ylmethyl)amino]-4-propylcyclohexane-1-carbonitrile.
What is the SMILES notation for 2-[ethyl(oxolan-2-ylmethyl)amino]-4-propylcyclohexane-1-carbonitrile?
The canonical SMILES for 2-[ethyl(oxolan-2-ylmethyl)amino]-4-propylcyclohexane-1-carbonitrile is CCCC1CCC(C#N)C(N(CC)CC2CCCO2)C1.
What is the InChIKey of 2-[ethyl(oxolan-2-ylmethyl)amino]-4-propylcyclohexane-1-carbonitrile?
The InChIKey is CITQVXKKKADVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-3-6-14-8-9-15(12-18)17(11-14)19(4-2)13-16-7-5-10-20-16/h14-17H,3-11,13H2,1-2H3.
What are the key properties of 2-[ethyl(oxolan-2-ylmethyl)amino]-4-propylcyclohexane-1-carbonitrile?
2-[ethyl(oxolan-2-ylmethyl)amino]-4-propylcyclohexane-1-carbonitrile has a molecular weight of 278.44 g/mol, XLogP of 3.60, 6 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]-4-propylcyclohexane-1-carbonitrile is sourced from PubChem (CID 61434257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).