3-(tert-butylamino)-1-cyclohexylpyrrolidine-3-carbonitrile;methane

C16H31N3 — CID 158595715

IUPAC3-(tert-butylamino)-1-cyclohexylpyrrolidine-3-carbonitrile;methane
SMILESC.CC(C)(C)NC1(C#N)CCN(C2CCCCC2)C1
InChIInChI=1S/C15H27N3.CH4/c1-14(2,3)17-15(11-16)9-10-18(12-15)13-7-5-4-6-8-13;/h13,17H,4-10,12H2,1-3H3;1H4
InChIKeyHUZSZVGPOXKETF-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.31
Rot. Bonds2

About 3-(tert-butylamino)-1-cyclohexylpyrrolidine-3-carbonitrile;methane

3-(tert-butylamino)-1-cyclohexylpyrrolidine-3-carbonitrile;methane (PubChem CID 158595715) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 3-(tert-butylamino)-1-cyclohexylpyrrolidine-3-carbonitrile;methane.

Molecular Properties

Compound Name3-(tert-butylamino)-1-cyclohexylpyrrolidine-3-carbonitrile;methane
PubChem CID158595715
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name3-(tert-butylamino)-1-cyclohexylpyrrolidine-3-carbonitrile;methane
SMILESC.CC(C)(C)NC1(C#N)CCN(C2CCCCC2)C1
InChIInChI=1S/C15H27N3.CH4/c1-14(2,3)17-15(11-16)9-10-18(12-15)13-7-5-4-6-8-13;/h13,17H,4-10,12H2,1-3H3;1H4
InChIKeyHUZSZVGPOXKETF-UHFFFAOYSA-N
XLogP3.31
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(tert-butylamino)-1-(1,1-dioxothian-4-yl)piperidine-4-carbonitrile
CID 22972927
1-cyclopropyl-3-(prop-2-enylamino)pyrrolidine-3-carbonitrile
CID 62976028
1-(tert-butylamino)cyclopentane-1-carbonitrile
CID 20825324
1-(tert-butylamino)-3-(cyclohexylmethyl)cyclopentane-1-carbonitrile
CID 20825428
4-(tert-butylamino)-1-ethylpiperidine-4-carbonitrile
CID 22972970
2-amino-N-[3-cyano-1-(4,4-dimethylcyclohexyl)pyrrolidin-3-yl]-4,4-dimethylpentanamide
CID 141050932
2-[3-[(3-cyano-1-cyclohexylpyrrolidin-3-yl)amino]-3-oxopropyl]-5-iodobenzamide
CID 22063349
(2R)-N-(3-cyano-1-cyclohexylpyrrolidin-3-yl)-2-[(4-methylcyclohexyl)methyl]-4-morpholin-4-yl-4-oxobutanamide
CID 70078177
1-butyl-4-(tert-butylamino)piperidine-4-carbonitrile
CID 22972962
1-cyclohexyl-3,3-difluoropyrrolidine
CID 117007575
3-(4-tert-butylpiperidin-1-yl)-1-(ethylamino)cyclohexane-1-carbonitrile
CID 79628775
3-(4-cyclopropylpiperazin-1-yl)-1-(propylamino)cyclohexane-1-carbonitrile
CID 79627197

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-1-cyclohexylpyrrolidine-3-carbonitrile;methane?
The IUPAC name of 3-(tert-butylamino)-1-cyclohexylpyrrolidine-3-carbonitrile;methane (CID 158595715) is 3-(tert-butylamino)-1-cyclohexylpyrrolidine-3-carbonitrile;methane.
What is the SMILES notation for 3-(tert-butylamino)-1-cyclohexylpyrrolidine-3-carbonitrile;methane?
The canonical SMILES for 3-(tert-butylamino)-1-cyclohexylpyrrolidine-3-carbonitrile;methane is C.CC(C)(C)NC1(C#N)CCN(C2CCCCC2)C1.
What is the InChIKey of 3-(tert-butylamino)-1-cyclohexylpyrrolidine-3-carbonitrile;methane?
The InChIKey is HUZSZVGPOXKETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3.CH4/c1-14(2,3)17-15(11-16)9-10-18(12-15)13-7-5-4-6-8-13;/h13,17H,4-10,12H2,1-3H3;1H4.
What are the key properties of 3-(tert-butylamino)-1-cyclohexylpyrrolidine-3-carbonitrile;methane?
3-(tert-butylamino)-1-cyclohexylpyrrolidine-3-carbonitrile;methane has a molecular weight of 265.44 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-1-cyclohexylpyrrolidine-3-carbonitrile;methane is sourced from PubChem (CID 158595715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).