1-(ethylamino)-3-(4-ethylazepan-1-yl)cyclopentane-1-carbonitrile

C16H29N3 — CID 79638583

IUPAC1-(ethylamino)-3-(4-ethylazepan-1-yl)cyclopentane-1-carbonitrile
SMILESCCNC1(C#N)CCC(N2CCCC(CC)CC2)C1
InChIInChI=1S/C16H29N3/c1-3-14-6-5-10-19(11-8-14)15-7-9-16(12-15,13-17)18-4-2/h14-15,18H,3-12H2,1-2H3
InChIKeyFYKDIOPPLUDBQU-UHFFFAOYSA-N
MW263.43 g/mol
LogP2.92
Rot. Bonds4

About 1-(ethylamino)-3-(4-ethylazepan-1-yl)cyclopentane-1-carbonitrile

1-(ethylamino)-3-(4-ethylazepan-1-yl)cyclopentane-1-carbonitrile (PubChem CID 79638583) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-(ethylamino)-3-(4-ethylazepan-1-yl)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(ethylamino)-3-(4-ethylazepan-1-yl)cyclopentane-1-carbonitrile
PubChem CID79638583
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name1-(ethylamino)-3-(4-ethylazepan-1-yl)cyclopentane-1-carbonitrile
SMILESCCNC1(C#N)CCC(N2CCCC(CC)CC2)C1
InChIInChI=1S/C16H29N3/c1-3-14-6-5-10-19(11-8-14)15-7-9-16(12-15,13-17)18-4-2/h14-15,18H,3-12H2,1-2H3
InChIKeyFYKDIOPPLUDBQU-UHFFFAOYSA-N
XLogP2.92
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4,4-dimethylazepan-1-yl)-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79639514
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79935897
3-(4-tert-butylpiperidin-1-yl)-1-(ethylamino)cyclohexane-1-carbonitrile
CID 79628775
1-(ethylamino)-3-(4-ethylpiperazin-1-yl)cyclohexane-1-carbonitrile
CID 79625108
1-(ethylamino)-3-(1,4-oxazepan-4-yl)cyclohexane-1-carbonitrile
CID 79625064
1-(propan-2-ylamino)-3-(4-propylpiperidin-1-yl)cyclopentane-1-carbonitrile
CID 79639775
3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79639637
1-(propan-2-ylamino)-3-(4-propan-2-ylazepan-1-yl)cyclopentane-1-carbonitrile
CID 79638672
1-(methylamino)-3-(4-propylpiperidin-1-yl)cyclopentane-1-carbonitrile
CID 79639682
1-(ethylamino)-3-(3-methoxypiperidin-1-yl)cyclohexane-1-carbonitrile
CID 102966224
1-(ethylamino)-3-(3-phenylpyrrolidin-1-yl)cyclopentane-1-carbonitrile
CID 79639357
1-(ethylamino)-3-(2-propan-2-ylpyrrolidin-1-yl)cyclohexane-1-carbonitrile
CID 79625823

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-(4-ethylazepan-1-yl)cyclopentane-1-carbonitrile?
The IUPAC name of 1-(ethylamino)-3-(4-ethylazepan-1-yl)cyclopentane-1-carbonitrile (CID 79638583) is 1-(ethylamino)-3-(4-ethylazepan-1-yl)cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(ethylamino)-3-(4-ethylazepan-1-yl)cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(ethylamino)-3-(4-ethylazepan-1-yl)cyclopentane-1-carbonitrile is CCNC1(C#N)CCC(N2CCCC(CC)CC2)C1.
What is the InChIKey of 1-(ethylamino)-3-(4-ethylazepan-1-yl)cyclopentane-1-carbonitrile?
The InChIKey is FYKDIOPPLUDBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-3-14-6-5-10-19(11-8-14)15-7-9-16(12-15,13-17)18-4-2/h14-15,18H,3-12H2,1-2H3.
What are the key properties of 1-(ethylamino)-3-(4-ethylazepan-1-yl)cyclopentane-1-carbonitrile?
1-(ethylamino)-3-(4-ethylazepan-1-yl)cyclopentane-1-carbonitrile has a molecular weight of 263.43 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-(4-ethylazepan-1-yl)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79638583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).