1-(ethylamino)-3-[1-methoxypropan-2-yl(methyl)amino]cyclopentane-1-carbonitrile

C13H25N3O — CID 79639856

IUPAC1-(ethylamino)-3-[1-methoxypropan-2-yl(methyl)amino]cyclopentane-1-carbonitrile
SMILESCCNC1(C#N)CCC(N(C)C(C)COC)C1
InChIInChI=1S/C13H25N3O/c1-5-15-13(10-14)7-6-12(8-13)16(3)11(2)9-17-4/h11-12,15H,5-9H2,1-4H3
InChIKeyZTYGRPACTGVVCW-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.38
Rot. Bonds6

About 1-(ethylamino)-3-[1-methoxypropan-2-yl(methyl)amino]cyclopentane-1-carbonitrile

1-(ethylamino)-3-[1-methoxypropan-2-yl(methyl)amino]cyclopentane-1-carbonitrile (PubChem CID 79639856) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-(ethylamino)-3-[1-methoxypropan-2-yl(methyl)amino]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(ethylamino)-3-[1-methoxypropan-2-yl(methyl)amino]cyclopentane-1-carbonitrile
PubChem CID79639856
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name1-(ethylamino)-3-[1-methoxypropan-2-yl(methyl)amino]cyclopentane-1-carbonitrile
SMILESCCNC1(C#N)CCC(N(C)C(C)COC)C1
InChIInChI=1S/C13H25N3O/c1-5-15-13(10-14)7-6-12(8-13)16(3)11(2)9-17-4/h11-12,15H,5-9H2,1-4H3
InChIKeyZTYGRPACTGVVCW-UHFFFAOYSA-N
XLogP1.38
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[butan-2-yl(methyl)amino]-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79638951
1-(cyclopropylamino)-3-[1-methoxypropan-2-yl(methyl)amino]cyclopentane-1-carbonitrile
CID 79639855
1-(ethylamino)-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]cyclopentane-1-carbonitrile
CID 79639770
1-(ethylamino)-3-[methyl(3-methylbutan-2-yl)amino]cyclohexane-1-carbonitrile
CID 79625121
3-[methyl(3-methylbutan-2-yl)amino]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79639252
3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79639442
1-(ethylamino)-3-[methyl-(4-methylcyclohexyl)amino]cyclopentane-1-carbonitrile
CID 79639067
3-[methyl(pentan-2-yl)amino]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79638696
1-(ethylamino)-3-[(4-ethylcyclohexyl)-methylamino]cyclopentane-1-carbonitrile
CID 79638847
3-[3-(dimethylamino)propyl-methylamino]-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79639177
1-(ethylamino)-3-[ethyl(2-ethylbutyl)amino]cyclopentane-1-carbonitrile
CID 79639672
1-(ethylamino)-3-[methyl(2-propan-2-yloxyethyl)amino]cyclohexane-1-carbonitrile
CID 81062280

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-[1-methoxypropan-2-yl(methyl)amino]cyclopentane-1-carbonitrile?
The IUPAC name of 1-(ethylamino)-3-[1-methoxypropan-2-yl(methyl)amino]cyclopentane-1-carbonitrile (CID 79639856) is 1-(ethylamino)-3-[1-methoxypropan-2-yl(methyl)amino]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(ethylamino)-3-[1-methoxypropan-2-yl(methyl)amino]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(ethylamino)-3-[1-methoxypropan-2-yl(methyl)amino]cyclopentane-1-carbonitrile is CCNC1(C#N)CCC(N(C)C(C)COC)C1.
What is the InChIKey of 1-(ethylamino)-3-[1-methoxypropan-2-yl(methyl)amino]cyclopentane-1-carbonitrile?
The InChIKey is ZTYGRPACTGVVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-5-15-13(10-14)7-6-12(8-13)16(3)11(2)9-17-4/h11-12,15H,5-9H2,1-4H3.
What are the key properties of 1-(ethylamino)-3-[1-methoxypropan-2-yl(methyl)amino]cyclopentane-1-carbonitrile?
1-(ethylamino)-3-[1-methoxypropan-2-yl(methyl)amino]cyclopentane-1-carbonitrile has a molecular weight of 239.36 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-[1-methoxypropan-2-yl(methyl)amino]cyclopentane-1-carbonitrile is sourced from PubChem (CID 79639856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).