1-(3-aminocyclohexyl)pyrrolidine-3-carbonitrile

C11H19N3 — CID 164658033

IUPAC1-(3-aminocyclohexyl)pyrrolidine-3-carbonitrile
SMILESN#CC1CCN(C2CCCC(N)C2)C1
InChIInChI=1S/C11H19N3/c12-7-9-4-5-14(8-9)11-3-1-2-10(13)6-11/h9-11H,1-6,8,13H2
InChIKeyPXIQLJDMEPRSRU-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.10
Rot. Bonds1

About 1-(3-aminocyclohexyl)pyrrolidine-3-carbonitrile

1-(3-aminocyclohexyl)pyrrolidine-3-carbonitrile (PubChem CID 164658033) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-(3-aminocyclohexyl)pyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name1-(3-aminocyclohexyl)pyrrolidine-3-carbonitrile
PubChem CID164658033
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name1-(3-aminocyclohexyl)pyrrolidine-3-carbonitrile
SMILESN#CC1CCN(C2CCCC(N)C2)C1
InChIInChI=1S/C11H19N3/c12-7-9-4-5-14(8-9)11-3-1-2-10(13)6-11/h9-11H,1-6,8,13H2
InChIKeyPXIQLJDMEPRSRU-UHFFFAOYSA-N
XLogP1.10
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-cyclohexylpyrrolidine-3-carbonitrile
CID 134459247
3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)cyclohexan-1-amine
CID 79469057
[1-(3-aminocyclohexyl)pyrrolidin-3-yl]methanol
CID 112629420
3-(3-methoxypyrrolidin-1-yl)cyclohexan-1-amine
CID 103532352
2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-2-carbonitrile
CID 12577375
1-(3-aminocyclohexyl)pyrrolidine-3,4-diol
CID 106674357
(2S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-amine
CID 12783916
(2R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-amine
CID 51670154
(3R)-3-piperazin-1-ylcyclohexan-1-amine
CID 143940037
3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)cyclohexan-1-amine
CID 79467716
1-cyclobutylpiperidin-3-amine
CID 63935163
1-[1-(2-aminoacetyl)piperidin-4-yl]pyrrolidine-3-carbonitrile
CID 142427579

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminocyclohexyl)pyrrolidine-3-carbonitrile?
The IUPAC name of 1-(3-aminocyclohexyl)pyrrolidine-3-carbonitrile (CID 164658033) is 1-(3-aminocyclohexyl)pyrrolidine-3-carbonitrile.
What is the SMILES notation for 1-(3-aminocyclohexyl)pyrrolidine-3-carbonitrile?
The canonical SMILES for 1-(3-aminocyclohexyl)pyrrolidine-3-carbonitrile is N#CC1CCN(C2CCCC(N)C2)C1.
What is the InChIKey of 1-(3-aminocyclohexyl)pyrrolidine-3-carbonitrile?
The InChIKey is PXIQLJDMEPRSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c12-7-9-4-5-14(8-9)11-3-1-2-10(13)6-11/h9-11H,1-6,8,13H2.
What are the key properties of 1-(3-aminocyclohexyl)pyrrolidine-3-carbonitrile?
1-(3-aminocyclohexyl)pyrrolidine-3-carbonitrile has a molecular weight of 193.29 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminocyclohexyl)pyrrolidine-3-carbonitrile is sourced from PubChem (CID 164658033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).