1-(methylamino)-2-[2-(3,3,5-trimethylcyclohexyl)oxyethyl]cyclopentane-1-carbonitrile

C18H32N2O — CID 79576507

IUPAC1-(methylamino)-2-[2-(3,3,5-trimethylcyclohexyl)oxyethyl]cyclopentane-1-carbonitrile
SMILESCNC1(C#N)CCCC1CCOC1CC(C)CC(C)(C)C1
InChIInChI=1S/C18H32N2O/c1-14-10-16(12-17(2,3)11-14)21-9-7-15-6-5-8-18(15,13-19)20-4/h14-16,20H,5-12H2,1-4H3
InChIKeyHMZFZRQVMFCQBX-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.89
Rot. Bonds5

About 1-(methylamino)-2-[2-(3,3,5-trimethylcyclohexyl)oxyethyl]cyclopentane-1-carbonitrile

1-(methylamino)-2-[2-(3,3,5-trimethylcyclohexyl)oxyethyl]cyclopentane-1-carbonitrile (PubChem CID 79576507) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 1-(methylamino)-2-[2-(3,3,5-trimethylcyclohexyl)oxyethyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(methylamino)-2-[2-(3,3,5-trimethylcyclohexyl)oxyethyl]cyclopentane-1-carbonitrile
PubChem CID79576507
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name1-(methylamino)-2-[2-(3,3,5-trimethylcyclohexyl)oxyethyl]cyclopentane-1-carbonitrile
SMILESCNC1(C#N)CCCC1CCOC1CC(C)CC(C)(C)C1
InChIInChI=1S/C18H32N2O/c1-14-10-16(12-17(2,3)11-14)21-9-7-15-6-5-8-18(15,13-19)20-4/h14-16,20H,5-12H2,1-4H3
InChIKeyHMZFZRQVMFCQBX-UHFFFAOYSA-N
XLogP3.89
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(cyclopentylmethoxy)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79576565
2-(2-cycloheptyloxyethyl)-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79576704
2-[2-(cyclohexylmethoxy)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79578007
2-[2-(2,2-difluoroethoxy)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 82006574
1-(methylamino)-2-[2-(2-propan-2-yloxyethoxy)ethyl]cyclopentane-1-carbonitrile
CID 79572611
1-(methylamino)-2-[2-(2,4,6-trimethylphenoxy)ethyl]cyclopentane-1-carbonitrile
CID 79576909
1-amino-2-(2-cyclopentyloxyethyl)cyclopentane-1-carbonitrile
CID 79572377
1-(ethylamino)-3-(3,3,5-trimethylcyclohexyl)oxycyclohexane-1-carbonitrile
CID 79627570
2-[2-(oxolan-3-yloxy)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79578008
2-[2-[2-methoxyethyl(propan-2-yl)amino]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 82959909
N',N'-dimethyl-N-[2-(3,3,5-trimethylcyclohexyl)oxyethyl]ethane-1,2-diamine
CID 62598860
2-methoxy-N-[2-(3,3,5-trimethylcyclohexyl)oxyethyl]ethanamine
CID 62599023

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-2-[2-(3,3,5-trimethylcyclohexyl)oxyethyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-(methylamino)-2-[2-(3,3,5-trimethylcyclohexyl)oxyethyl]cyclopentane-1-carbonitrile (CID 79576507) is 1-(methylamino)-2-[2-(3,3,5-trimethylcyclohexyl)oxyethyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(methylamino)-2-[2-(3,3,5-trimethylcyclohexyl)oxyethyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(methylamino)-2-[2-(3,3,5-trimethylcyclohexyl)oxyethyl]cyclopentane-1-carbonitrile is CNC1(C#N)CCCC1CCOC1CC(C)CC(C)(C)C1.
What is the InChIKey of 1-(methylamino)-2-[2-(3,3,5-trimethylcyclohexyl)oxyethyl]cyclopentane-1-carbonitrile?
The InChIKey is HMZFZRQVMFCQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-14-10-16(12-17(2,3)11-14)21-9-7-15-6-5-8-18(15,13-19)20-4/h14-16,20H,5-12H2,1-4H3.
What are the key properties of 1-(methylamino)-2-[2-(3,3,5-trimethylcyclohexyl)oxyethyl]cyclopentane-1-carbonitrile?
1-(methylamino)-2-[2-(3,3,5-trimethylcyclohexyl)oxyethyl]cyclopentane-1-carbonitrile has a molecular weight of 292.47 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-2-[2-(3,3,5-trimethylcyclohexyl)oxyethyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 79576507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).