2-[2-methoxyethyl(pentan-3-yl)amino]-4-propylcyclohexane-1-carbonitrile

C18H34N2O — CID 63512784

IUPAC2-[2-methoxyethyl(pentan-3-yl)amino]-4-propylcyclohexane-1-carbonitrile
SMILESCCCC1CCC(C#N)C(N(CCOC)C(CC)CC)C1
InChIInChI=1S/C18H34N2O/c1-5-8-15-9-10-16(14-19)18(13-15)20(11-12-21-4)17(6-2)7-3/h15-18H,5-13H2,1-4H3
InChIKeyNSAUZSZUJSYFJX-UHFFFAOYSA-N
MW294.48 g/mol
LogP4.23
Rot. Bonds9

About 2-[2-methoxyethyl(pentan-3-yl)amino]-4-propylcyclohexane-1-carbonitrile

2-[2-methoxyethyl(pentan-3-yl)amino]-4-propylcyclohexane-1-carbonitrile (PubChem CID 63512784) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is 2-[2-methoxyethyl(pentan-3-yl)amino]-4-propylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-[2-methoxyethyl(pentan-3-yl)amino]-4-propylcyclohexane-1-carbonitrile
PubChem CID63512784
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name2-[2-methoxyethyl(pentan-3-yl)amino]-4-propylcyclohexane-1-carbonitrile
SMILESCCCC1CCC(C#N)C(N(CCOC)C(CC)CC)C1
InChIInChI=1S/C18H34N2O/c1-5-8-15-9-10-16(14-19)18(13-15)20(11-12-21-4)17(6-2)7-3/h15-18H,5-13H2,1-4H3
InChIKeyNSAUZSZUJSYFJX-UHFFFAOYSA-N
XLogP4.23
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[butan-2-yl(2-methoxyethyl)amino]-4-methylcyclohexane-1-carbonitrile
CID 55000005
2-[butan-2-yl(2-methoxyethyl)amino]cyclohexane-1-carbonitrile
CID 55000052
2-[2-hydroxypropyl(methyl)amino]-4-propylcyclohexane-1-carbonitrile
CID 55060731
2-[cyclobutylmethyl(methyl)amino]-4-propylcyclohexane-1-carbonitrile
CID 62861497
2-N-ethyl-2-N-(2-methoxyethyl)-4-propylcyclohexane-1,2-diamine
CID 61448059
2-hydroxy-4-propylcyclohexane-1-carbonitrile
CID 43292878
2-butoxy-4-propylcyclohexane-1-carbonitrile
CID 43292944
2-[(2-cyano-5-propylcyclohexyl)-methylamino]-N,N-diethylacetamide
CID 61451259
2-[methyl(oxan-4-yl)amino]-4-propylcyclohexane-1-carbonitrile
CID 43611121
2-[1-cyclopropylethyl(2-methoxyethyl)amino]cyclopentane-1-carbonitrile
CID 55004073
2-[2-cyanoethyl(2-methoxyethyl)amino]-4-methylcyclohexane-1-carbonitrile
CID 63287304
2-N-(2-methoxyethyl)-2-N-pentan-3-ylcyclooctane-1,2-diamine
CID 55004362

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl(pentan-3-yl)amino]-4-propylcyclohexane-1-carbonitrile?
The IUPAC name of 2-[2-methoxyethyl(pentan-3-yl)amino]-4-propylcyclohexane-1-carbonitrile (CID 63512784) is 2-[2-methoxyethyl(pentan-3-yl)amino]-4-propylcyclohexane-1-carbonitrile.
What is the SMILES notation for 2-[2-methoxyethyl(pentan-3-yl)amino]-4-propylcyclohexane-1-carbonitrile?
The canonical SMILES for 2-[2-methoxyethyl(pentan-3-yl)amino]-4-propylcyclohexane-1-carbonitrile is CCCC1CCC(C#N)C(N(CCOC)C(CC)CC)C1.
What is the InChIKey of 2-[2-methoxyethyl(pentan-3-yl)amino]-4-propylcyclohexane-1-carbonitrile?
The InChIKey is NSAUZSZUJSYFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-5-8-15-9-10-16(14-19)18(13-15)20(11-12-21-4)17(6-2)7-3/h15-18H,5-13H2,1-4H3.
What are the key properties of 2-[2-methoxyethyl(pentan-3-yl)amino]-4-propylcyclohexane-1-carbonitrile?
2-[2-methoxyethyl(pentan-3-yl)amino]-4-propylcyclohexane-1-carbonitrile has a molecular weight of 294.48 g/mol, XLogP of 4.23, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl(pentan-3-yl)amino]-4-propylcyclohexane-1-carbonitrile is sourced from PubChem (CID 63512784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).