1-amino-2-[2-(2-ethylcyclohexyl)oxyethyl]cyclopentane-1-carbonitrile

C16H28N2O — CID 79573395

IUPAC1-amino-2-[2-(2-ethylcyclohexyl)oxyethyl]cyclopentane-1-carbonitrile
SMILESCCC1CCCCC1OCCC1CCCC1(N)C#N
InChIInChI=1S/C16H28N2O/c1-2-13-6-3-4-8-15(13)19-11-9-14-7-5-10-16(14,18)12-17/h13-15H,2-11,18H2,1H3
InChIKeyMZYIPJWUWKXYQN-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.38
Rot. Bonds5

About 1-amino-2-[2-(2-ethylcyclohexyl)oxyethyl]cyclopentane-1-carbonitrile

1-amino-2-[2-(2-ethylcyclohexyl)oxyethyl]cyclopentane-1-carbonitrile (PubChem CID 79573395) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-amino-2-[2-(2-ethylcyclohexyl)oxyethyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-amino-2-[2-(2-ethylcyclohexyl)oxyethyl]cyclopentane-1-carbonitrile
PubChem CID79573395
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-amino-2-[2-(2-ethylcyclohexyl)oxyethyl]cyclopentane-1-carbonitrile
SMILESCCC1CCCCC1OCCC1CCCC1(N)C#N
InChIInChI=1S/C16H28N2O/c1-2-13-6-3-4-8-15(13)19-11-9-14-7-5-10-16(14,18)12-17/h13-15H,2-11,18H2,1H3
InChIKeyMZYIPJWUWKXYQN-UHFFFAOYSA-N
XLogP3.38
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-2-(2-cyclopentyloxyethyl)cyclopentane-1-carbonitrile
CID 79572377
1-amino-2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopentane-1-carbonitrile
CID 113427255
1-amino-2-[2-(4-methylpentoxy)ethyl]cyclopentane-1-carbonitrile
CID 79572031
1-amino-2-[2-(2-methylpentoxy)ethyl]cyclopentane-1-carbonitrile
CID 103284836
1-amino-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentane-1-carbonitrile
CID 79575827
1-amino-2-[2-(2,4,6-trimethylphenoxy)ethyl]cyclopentane-1-carbonitrile
CID 79576810
1-amino-2-[2-(oxan-2-ylmethoxy)ethyl]cyclopentane-1-carbonitrile
CID 79572364
ethyl 3-(2-ethylcyclohexyl)oxypropanoate
CID 43365260
1-amino-2-[2-[ethyl(2-methylpropyl)amino]ethyl]cyclopentane-1-carbonitrile
CID 79565336
2-[2-(2-ethylcyclohexyl)oxyethyl]cyclopentan-1-ol
CID 79563747
1-[(2-ethylcyclohexyl)oxymethyl]cyclohexan-1-amine
CID 64574195
1-amino-2-[2-(4-propan-2-ylphenoxy)ethyl]cyclopentane-1-carbonitrile
CID 79576891

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[2-(2-ethylcyclohexyl)oxyethyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-amino-2-[2-(2-ethylcyclohexyl)oxyethyl]cyclopentane-1-carbonitrile (CID 79573395) is 1-amino-2-[2-(2-ethylcyclohexyl)oxyethyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-amino-2-[2-(2-ethylcyclohexyl)oxyethyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-amino-2-[2-(2-ethylcyclohexyl)oxyethyl]cyclopentane-1-carbonitrile is CCC1CCCCC1OCCC1CCCC1(N)C#N.
What is the InChIKey of 1-amino-2-[2-(2-ethylcyclohexyl)oxyethyl]cyclopentane-1-carbonitrile?
The InChIKey is MZYIPJWUWKXYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-2-13-6-3-4-8-15(13)19-11-9-14-7-5-10-16(14,18)12-17/h13-15H,2-11,18H2,1H3.
What are the key properties of 1-amino-2-[2-(2-ethylcyclohexyl)oxyethyl]cyclopentane-1-carbonitrile?
1-amino-2-[2-(2-ethylcyclohexyl)oxyethyl]cyclopentane-1-carbonitrile has a molecular weight of 264.41 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[2-(2-ethylcyclohexyl)oxyethyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 79573395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).