3-[2-methoxyethyl(2-methylpropyl)amino]-1-(methylamino)cyclopentane-1-carbonitrile

C14H27N3O — CID 79640026

IUPAC3-[2-methoxyethyl(2-methylpropyl)amino]-1-(methylamino)cyclopentane-1-carbonitrile
SMILESCNC1(C#N)CCC(N(CCOC)CC(C)C)C1
InChIInChI=1S/C14H27N3O/c1-12(2)10-17(7-8-18-4)13-5-6-14(9-13,11-15)16-3/h12-13,16H,5-10H2,1-4H3
InChIKeyCZYIRQDCQJQICP-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.63
Rot. Bonds7

About 3-[2-methoxyethyl(2-methylpropyl)amino]-1-(methylamino)cyclopentane-1-carbonitrile

3-[2-methoxyethyl(2-methylpropyl)amino]-1-(methylamino)cyclopentane-1-carbonitrile (PubChem CID 79640026) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 3-[2-methoxyethyl(2-methylpropyl)amino]-1-(methylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name3-[2-methoxyethyl(2-methylpropyl)amino]-1-(methylamino)cyclopentane-1-carbonitrile
PubChem CID79640026
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name3-[2-methoxyethyl(2-methylpropyl)amino]-1-(methylamino)cyclopentane-1-carbonitrile
SMILESCNC1(C#N)CCC(N(CCOC)CC(C)C)C1
InChIInChI=1S/C14H27N3O/c1-12(2)10-17(7-8-18-4)13-5-6-14(9-13,11-15)16-3/h12-13,16H,5-10H2,1-4H3
InChIKeyCZYIRQDCQJQICP-UHFFFAOYSA-N
XLogP1.63
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79639666
[3-[2-methoxyethyl(2-methylpropyl)amino]-1-(methylamino)cyclopentyl]methanol
CID 79655970
methyl 3-[2-methoxyethyl(2-methylpropyl)amino]-1-(methylamino)cyclopentane-1-carboxylate
CID 79655499
3-[cyclopropyl(2-methoxyethyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79638842
3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79639442
1-(ethylamino)-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]cyclopentane-1-carbonitrile
CID 79639770
1-(methylamino)-3-[2-methylpropyl(propan-2-yl)amino]cyclohexane-1-carbonitrile
CID 79625349
methyl 1-amino-3-[2-methoxyethyl(2-methylpropyl)amino]cyclopentane-1-carboxylate
CID 79655290
1-(methylamino)-4-[methyl(4-methylpentyl)amino]cyclohexane-1-carbonitrile
CID 117039628
3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1-(ethylamino)cyclohexane-1-carbonitrile
CID 79626199
3-[butyl(methyl)amino]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79638526
4-N-(2-methoxyethyl)-4-N-(2-methylpropyl)cyclohexane-1,4-diamine
CID 62806205

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxyethyl(2-methylpropyl)amino]-1-(methylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 3-[2-methoxyethyl(2-methylpropyl)amino]-1-(methylamino)cyclopentane-1-carbonitrile (CID 79640026) is 3-[2-methoxyethyl(2-methylpropyl)amino]-1-(methylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 3-[2-methoxyethyl(2-methylpropyl)amino]-1-(methylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 3-[2-methoxyethyl(2-methylpropyl)amino]-1-(methylamino)cyclopentane-1-carbonitrile is CNC1(C#N)CCC(N(CCOC)CC(C)C)C1.
What is the InChIKey of 3-[2-methoxyethyl(2-methylpropyl)amino]-1-(methylamino)cyclopentane-1-carbonitrile?
The InChIKey is CZYIRQDCQJQICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-12(2)10-17(7-8-18-4)13-5-6-14(9-13,11-15)16-3/h12-13,16H,5-10H2,1-4H3.
What are the key properties of 3-[2-methoxyethyl(2-methylpropyl)amino]-1-(methylamino)cyclopentane-1-carbonitrile?
3-[2-methoxyethyl(2-methylpropyl)amino]-1-(methylamino)cyclopentane-1-carbonitrile has a molecular weight of 253.39 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxyethyl(2-methylpropyl)amino]-1-(methylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79640026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).