1-(dimethylamino)-4-[ethyl(methyl)amino]cyclohexane-1-carbonitrile

C12H23N3 — CID 117039634

IUPAC1-(dimethylamino)-4-[ethyl(methyl)amino]cyclohexane-1-carbonitrile
SMILESCCN(C)C1CCC(C#N)(N(C)C)CC1
InChIInChI=1S/C12H23N3/c1-5-15(4)11-6-8-12(10-13,9-7-11)14(2)3/h11H,5-9H2,1-4H3
InChIKeyPKSWUBYKDMDHAM-UHFFFAOYSA-N
MW209.34 g/mol
LogP1.70
Rot. Bonds3

About 1-(dimethylamino)-4-[ethyl(methyl)amino]cyclohexane-1-carbonitrile

1-(dimethylamino)-4-[ethyl(methyl)amino]cyclohexane-1-carbonitrile (PubChem CID 117039634) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 1-(dimethylamino)-4-[ethyl(methyl)amino]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(dimethylamino)-4-[ethyl(methyl)amino]cyclohexane-1-carbonitrile
PubChem CID117039634
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name1-(dimethylamino)-4-[ethyl(methyl)amino]cyclohexane-1-carbonitrile
SMILESCCN(C)C1CCC(C#N)(N(C)C)CC1
InChIInChI=1S/C12H23N3/c1-5-15(4)11-6-8-12(10-13,9-7-11)14(2)3/h11H,5-9H2,1-4H3
InChIKeyPKSWUBYKDMDHAM-UHFFFAOYSA-N
XLogP1.70
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(dimethylamino)cyclooctane-1-carbonitrile
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1-(dimethylamino)-4-propan-2-ylcycloheptane-1-carbonitrile
CID 65090824
carbanide;N-ethyl-N-methylcyclobutanamine;tungsten(2+)
CID 170793114
ethane;N-ethyl-N-methylcyclohexanamine
CID 143070425
1-(diethylamino)-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile
CID 43802703
1-(dimethylamino)-3-ethoxycyclobutane-1-carbonitrile
CID 106823949
3-(dimethylamino)oxolane-3-carbonitrile
CID 10630582
4-(2,3-dihydroindol-1-yl)-1-(dimethylamino)cyclohexane-1-carbonitrile
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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-4-[ethyl(methyl)amino]cyclohexane-1-carbonitrile?
The IUPAC name of 1-(dimethylamino)-4-[ethyl(methyl)amino]cyclohexane-1-carbonitrile (CID 117039634) is 1-(dimethylamino)-4-[ethyl(methyl)amino]cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(dimethylamino)-4-[ethyl(methyl)amino]cyclohexane-1-carbonitrile?
The canonical SMILES for 1-(dimethylamino)-4-[ethyl(methyl)amino]cyclohexane-1-carbonitrile is CCN(C)C1CCC(C#N)(N(C)C)CC1.
What is the InChIKey of 1-(dimethylamino)-4-[ethyl(methyl)amino]cyclohexane-1-carbonitrile?
The InChIKey is PKSWUBYKDMDHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-5-15(4)11-6-8-12(10-13,9-7-11)14(2)3/h11H,5-9H2,1-4H3.
What are the key properties of 1-(dimethylamino)-4-[ethyl(methyl)amino]cyclohexane-1-carbonitrile?
1-(dimethylamino)-4-[ethyl(methyl)amino]cyclohexane-1-carbonitrile has a molecular weight of 209.34 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-4-[ethyl(methyl)amino]cyclohexane-1-carbonitrile is sourced from PubChem (CID 117039634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).