1-(cyclopropylamino)-3,3,5,5-tetramethylcyclohexane-1-carbonitrile

C14H24N2 — CID 112682393

IUPAC1-(cyclopropylamino)-3,3,5,5-tetramethylcyclohexane-1-carbonitrile
SMILESCC1(C)CC(C)(C)CC(C#N)(NC2CC2)C1
InChIInChI=1S/C14H24N2/c1-12(2)7-13(3,4)9-14(8-12,10-15)16-11-5-6-11/h11,16H,5-9H2,1-4H3
InChIKeyJRMQFYMTYLVFAO-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.24
Rot. Bonds2

About 1-(cyclopropylamino)-3,3,5,5-tetramethylcyclohexane-1-carbonitrile

1-(cyclopropylamino)-3,3,5,5-tetramethylcyclohexane-1-carbonitrile (PubChem CID 112682393) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3,3,5,5-tetramethylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(cyclopropylamino)-3,3,5,5-tetramethylcyclohexane-1-carbonitrile
PubChem CID112682393
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name1-(cyclopropylamino)-3,3,5,5-tetramethylcyclohexane-1-carbonitrile
SMILESCC1(C)CC(C)(C)CC(C#N)(NC2CC2)C1
InChIInChI=1S/C14H24N2/c1-12(2)7-13(3,4)9-14(8-12,10-15)16-11-5-6-11/h11,16H,5-9H2,1-4H3
InChIKeyJRMQFYMTYLVFAO-UHFFFAOYSA-N
XLogP3.24
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cycloheptylamino)-3,3,5-trimethylcyclohexane-1-carbonitrile
CID 63467066
3-(cyclopropylamino)azetidine-3-carbonitrile
CID 79308446
1-(cyclopropylamino)cyclohexane-1-carbonitrile
CID 28702726
4-(cyclopropylamino)-1-methylpiperidine-4-carbonitrile
CID 28702853
1-(cyclopentylamino)cyclopentane-1-carbonitrile
CID 28702667
1-(cyclopropylamino)-3-ethylcyclopentane-1-carbonitrile
CID 64513094
1-(cycloheptylamino)cyclooctane-1-carbonitrile
CID 54894299
1-(cyclopropylamino)-3-(4,4-dimethylazepan-1-yl)cyclohexane-1-carbonitrile
CID 79628418
3,3,5,5-tetramethyl-1-(oxolan-2-ylmethylamino)cyclohexane-1-carbonitrile
CID 112682397
1-(cyclopropylamino)-3-(3,3-dimethylpiperidin-1-yl)cyclohexane-1-carbonitrile
CID 79625967
ethane;1-[(1-methylpiperidin-4-yl)amino]cyclopropane-1-carbonitrile
CID 144962935
3,3,5,5-tetramethyl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carbonitrile
CID 112682414

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3,3,5,5-tetramethylcyclohexane-1-carbonitrile?
The IUPAC name of 1-(cyclopropylamino)-3,3,5,5-tetramethylcyclohexane-1-carbonitrile (CID 112682393) is 1-(cyclopropylamino)-3,3,5,5-tetramethylcyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(cyclopropylamino)-3,3,5,5-tetramethylcyclohexane-1-carbonitrile?
The canonical SMILES for 1-(cyclopropylamino)-3,3,5,5-tetramethylcyclohexane-1-carbonitrile is CC1(C)CC(C)(C)CC(C#N)(NC2CC2)C1.
What is the InChIKey of 1-(cyclopropylamino)-3,3,5,5-tetramethylcyclohexane-1-carbonitrile?
The InChIKey is JRMQFYMTYLVFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-12(2)7-13(3,4)9-14(8-12,10-15)16-11-5-6-11/h11,16H,5-9H2,1-4H3.
What are the key properties of 1-(cyclopropylamino)-3,3,5,5-tetramethylcyclohexane-1-carbonitrile?
1-(cyclopropylamino)-3,3,5,5-tetramethylcyclohexane-1-carbonitrile has a molecular weight of 220.36 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3,3,5,5-tetramethylcyclohexane-1-carbonitrile is sourced from PubChem (CID 112682393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).