1-(cyclopropylamino)-3-(3,3,4-trimethylpiperazin-1-yl)cyclohexane-1-carbonitrile

C17H30N4 — CID 79627045

IUPAC1-(cyclopropylamino)-3-(3,3,4-trimethylpiperazin-1-yl)cyclohexane-1-carbonitrile
SMILESCN1CCN(C2CCCC(C#N)(NC3CC3)C2)CC1(C)C
InChIInChI=1S/C17H30N4/c1-16(2)13-21(10-9-20(16)3)15-5-4-8-17(11-15,12-18)19-14-6-7-14/h14-15,19H,4-11,13H2,1-3H3
InChIKeyAZDSNSYGZLAQHX-UHFFFAOYSA-N
MW290.45 g/mol
LogP1.97
Rot. Bonds3

About 1-(cyclopropylamino)-3-(3,3,4-trimethylpiperazin-1-yl)cyclohexane-1-carbonitrile

1-(cyclopropylamino)-3-(3,3,4-trimethylpiperazin-1-yl)cyclohexane-1-carbonitrile (PubChem CID 79627045) has the molecular formula C17H30N4 and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-(3,3,4-trimethylpiperazin-1-yl)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-(3,3,4-trimethylpiperazin-1-yl)cyclohexane-1-carbonitrile
PubChem CID79627045
Molecular FormulaC17H30N4
Molecular Weight290.45 g/mol
Exact Mass290.25
IUPAC Name1-(cyclopropylamino)-3-(3,3,4-trimethylpiperazin-1-yl)cyclohexane-1-carbonitrile
SMILESCN1CCN(C2CCCC(C#N)(NC3CC3)C2)CC1(C)C
InChIInChI=1S/C17H30N4/c1-16(2)13-21(10-9-20(16)3)15-5-4-8-17(11-15,12-18)19-14-6-7-14/h14-15,19H,4-11,13H2,1-3H3
InChIKeyAZDSNSYGZLAQHX-UHFFFAOYSA-N
XLogP1.97
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopropylamino)-3-(3,3-dimethylpiperidin-1-yl)cyclohexane-1-carbonitrile
CID 79625967
1-(cyclopropylamino)-3-(4,4-dimethylazepan-1-yl)cyclohexane-1-carbonitrile
CID 79628418
1-(cyclopropylamino)-3-(4-propan-2-ylpiperazin-1-yl)cyclohexane-1-carbonitrile
CID 79626679
1-(cyclopropylamino)-3-piperidin-1-ylcyclopentane-1-carbonitrile
CID 79639135
1-(cyclopropylamino)-3-(2,4-dimethylpiperidin-1-yl)cyclohexane-1-carbonitrile
CID 79625352
1-(cyclopropylamino)-3-(3,4-dimethylpiperazin-1-yl)cyclopentane-1-carbonitrile
CID 79638318
[1-(methylamino)-3-(3,3,4-trimethylpiperazin-1-yl)cyclohexyl]methanol
CID 79633660
1-(cyclopropylamino)-3-(4-propan-2-ylpiperazin-1-yl)cyclopentane-1-carbonitrile
CID 79639574
3-(4-chloro-3-methylpyrazol-1-yl)-1-(cyclopropylamino)cyclohexane-1-carbonitrile
CID 79625016
3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(cyclopropylamino)cyclohexane-1-carbonitrile
CID 79626027
1-(cyclopropylamino)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)cyclohexane-1-carbonitrile
CID 79625010
1-(cyclopropylamino)-3-(3,4,5-trimethylpyrazol-1-yl)cyclohexane-1-carbonitrile
CID 79625076

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-(3,3,4-trimethylpiperazin-1-yl)cyclohexane-1-carbonitrile?
The IUPAC name of 1-(cyclopropylamino)-3-(3,3,4-trimethylpiperazin-1-yl)cyclohexane-1-carbonitrile (CID 79627045) is 1-(cyclopropylamino)-3-(3,3,4-trimethylpiperazin-1-yl)cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(cyclopropylamino)-3-(3,3,4-trimethylpiperazin-1-yl)cyclohexane-1-carbonitrile?
The canonical SMILES for 1-(cyclopropylamino)-3-(3,3,4-trimethylpiperazin-1-yl)cyclohexane-1-carbonitrile is CN1CCN(C2CCCC(C#N)(NC3CC3)C2)CC1(C)C.
What is the InChIKey of 1-(cyclopropylamino)-3-(3,3,4-trimethylpiperazin-1-yl)cyclohexane-1-carbonitrile?
The InChIKey is AZDSNSYGZLAQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-16(2)13-21(10-9-20(16)3)15-5-4-8-17(11-15,12-18)19-14-6-7-14/h14-15,19H,4-11,13H2,1-3H3.
What are the key properties of 1-(cyclopropylamino)-3-(3,3,4-trimethylpiperazin-1-yl)cyclohexane-1-carbonitrile?
1-(cyclopropylamino)-3-(3,3,4-trimethylpiperazin-1-yl)cyclohexane-1-carbonitrile has a molecular weight of 290.45 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-(3,3,4-trimethylpiperazin-1-yl)cyclohexane-1-carbonitrile is sourced from PubChem (CID 79627045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).