1-(cyclopropylamino)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]cyclopentane-1-carbonitrile

C15H25N3O — CID 104960154

IUPAC1-(cyclopropylamino)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]cyclopentane-1-carbonitrile
SMILESC[C@@H]1CN(C2CCC(C#N)(NC3CC3)C2)C[C@H](C)O1
InChIInChI=1S/C15H25N3O/c1-11-8-18(9-12(2)19-11)14-5-6-15(7-14,10-16)17-13-3-4-13/h11-14,17H,3-9H2,1-2H3/t11-,12+,14?,15?
InChIKeyUUNUDGJXGOMICQ-AVJIGQEQSA-N
MW263.38 g/mol
LogP1.66
Rot. Bonds3

About 1-(cyclopropylamino)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]cyclopentane-1-carbonitrile

1-(cyclopropylamino)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]cyclopentane-1-carbonitrile (PubChem CID 104960154) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]cyclopentane-1-carbonitrile
PubChem CID104960154
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-(cyclopropylamino)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]cyclopentane-1-carbonitrile
SMILESC[C@@H]1CN(C2CCC(C#N)(NC3CC3)C2)C[C@H](C)O1
InChIInChI=1S/C15H25N3O/c1-11-8-18(9-12(2)19-11)14-5-6-15(7-14,10-16)17-13-3-4-13/h11-14,17H,3-9H2,1-2H3/t11-,12+,14?,15?
InChIKeyUUNUDGJXGOMICQ-AVJIGQEQSA-N
XLogP1.66
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopropylamino)-3-(3,4-dimethoxypyrrolidin-1-yl)cyclopentane-1-carbonitrile
CID 103537863
1-(cyclopropylamino)-3-(3,4-dimethylpiperazin-1-yl)cyclopentane-1-carbonitrile
CID 79638318
1-(cyclopropylamino)-3-piperidin-1-ylcyclopentane-1-carbonitrile
CID 79639135
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(ethylamino)cyclohexane-1-carbonitrile
CID 104960172
1-(cyclopropylamino)-3-(4-propan-2-ylpiperazin-1-yl)cyclopentane-1-carbonitrile
CID 79639574
1-(cyclopropylamino)-3-(1,3-dihydroisoindol-2-yl)cyclopentane-1-carbonitrile
CID 79639358
1-(cyclopropylamino)-3-[3-(trifluoromethyl)piperidin-1-yl]cyclopentane-1-carbonitrile
CID 79639239
1-(cyclopropylamino)-3-(3-propoxypiperidin-1-yl)cyclopentane-1-carbonitrile
CID 79639825
1-(cyclopropylamino)-3-(3-ethylmorpholin-4-yl)cyclopentane-1-carbonitrile
CID 79638552
1-(cyclopropylamino)-3-(4,4-dimethylazepan-1-yl)cyclohexane-1-carbonitrile
CID 79628418
3-(3,5-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79639233
1-(cyclopropylamino)-3-ethylcyclopentane-1-carbonitrile
CID 64513094

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-(cyclopropylamino)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]cyclopentane-1-carbonitrile (CID 104960154) is 1-(cyclopropylamino)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(cyclopropylamino)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(cyclopropylamino)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]cyclopentane-1-carbonitrile is C[C@@H]1CN(C2CCC(C#N)(NC3CC3)C2)C[C@H](C)O1.
What is the InChIKey of 1-(cyclopropylamino)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]cyclopentane-1-carbonitrile?
The InChIKey is UUNUDGJXGOMICQ-AVJIGQEQSA-N. The full InChI is InChI=1S/C15H25N3O/c1-11-8-18(9-12(2)19-11)14-5-6-15(7-14,10-16)17-13-3-4-13/h11-14,17H,3-9H2,1-2H3/t11-,12+,14?,15?.
What are the key properties of 1-(cyclopropylamino)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]cyclopentane-1-carbonitrile?
1-(cyclopropylamino)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]cyclopentane-1-carbonitrile has a molecular weight of 263.38 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 104960154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).