3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(ethylamino)cyclohexane-1-carbonitrile

C16H30N4 — CID 79625136

IUPAC3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(ethylamino)cyclohexane-1-carbonitrile
SMILESCCNC1(C#N)CCCC(N2CCCC2CN(C)C)C1
InChIInChI=1S/C16H30N4/c1-4-18-16(13-17)9-5-7-14(11-16)20-10-6-8-15(20)12-19(2)3/h14-15,18H,4-12H2,1-3H3
InChIKeyHZSGUCQQRZONQG-UHFFFAOYSA-N
MW278.44 g/mol
LogP1.83
Rot. Bonds5

About 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(ethylamino)cyclohexane-1-carbonitrile

3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(ethylamino)cyclohexane-1-carbonitrile (PubChem CID 79625136) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(ethylamino)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(ethylamino)cyclohexane-1-carbonitrile
PubChem CID79625136
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(ethylamino)cyclohexane-1-carbonitrile
SMILESCCNC1(C#N)CCCC(N2CCCC2CN(C)C)C1
InChIInChI=1S/C16H30N4/c1-4-18-16(13-17)9-5-7-14(11-16)20-10-6-8-15(20)12-19(2)3/h14-15,18H,4-12H2,1-3H3
InChIKeyHZSGUCQQRZONQG-UHFFFAOYSA-N
XLogP1.83
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79639170
1-(ethylamino)-3-(2-propan-2-ylpyrrolidin-1-yl)cyclohexane-1-carbonitrile
CID 79625823
3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-(ethylamino)cyclohexane-1-carbonitrile
CID 102727945
1-(ethylamino)-3-(3-methylmorpholin-4-yl)cyclohexane-1-carbonitrile
CID 79625720
3-(2,4-dimethylpiperidin-1-yl)-1-(ethylamino)cyclohexane-1-carbonitrile
CID 79625508
1-(ethylamino)-3-(4-ethylpiperazin-1-yl)cyclohexane-1-carbonitrile
CID 79625108
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(ethylamino)cyclohexane-1-carbonitrile
CID 115561389
3-(4-tert-butylpiperidin-1-yl)-1-(ethylamino)cyclohexane-1-carbonitrile
CID 79628775
1-(ethylamino)-3-(3-methoxypiperidin-1-yl)cyclohexane-1-carbonitrile
CID 102966224
1-(ethylamino)-3-(1,4-oxazepan-4-yl)cyclohexane-1-carbonitrile
CID 79625064
1-(ethylamino)-3-(2-ethyl-5-methylpyrrolidin-1-yl)cyclohexane-1-carbonitrile
CID 83221342
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(ethylamino)cyclohexane-1-carbonitrile
CID 104960172

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(ethylamino)cyclohexane-1-carbonitrile?
The IUPAC name of 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(ethylamino)cyclohexane-1-carbonitrile (CID 79625136) is 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(ethylamino)cyclohexane-1-carbonitrile.
What is the SMILES notation for 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(ethylamino)cyclohexane-1-carbonitrile?
The canonical SMILES for 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(ethylamino)cyclohexane-1-carbonitrile is CCNC1(C#N)CCCC(N2CCCC2CN(C)C)C1.
What is the InChIKey of 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(ethylamino)cyclohexane-1-carbonitrile?
The InChIKey is HZSGUCQQRZONQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-4-18-16(13-17)9-5-7-14(11-16)20-10-6-8-15(20)12-19(2)3/h14-15,18H,4-12H2,1-3H3.
What are the key properties of 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(ethylamino)cyclohexane-1-carbonitrile?
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(ethylamino)cyclohexane-1-carbonitrile has a molecular weight of 278.44 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(ethylamino)cyclohexane-1-carbonitrile is sourced from PubChem (CID 79625136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).