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

C17H29N3O — CID 104960206

IUPAC1-(cyclopropylamino)-2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]cyclopentane-1-carbonitrile
SMILESC[C@@H]1CN(CCC2CCCC2(C#N)NC2CC2)C[C@H](C)O1
InChIInChI=1S/C17H29N3O/c1-13-10-20(11-14(2)21-13)9-7-15-4-3-8-17(15,12-18)19-16-5-6-16/h13-16,19H,3-11H2,1-2H3/t13-,14+,15?,17?
InChIKeyFMHHCNNKIUKWAF-KWOWKCNFSA-N
MW291.44 g/mol
LogP2.30
Rot. Bonds5

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

1-(cyclopropylamino)-2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]cyclopentane-1-carbonitrile (PubChem CID 104960206) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-(cyclopropylamino)-2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(cyclopropylamino)-2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]cyclopentane-1-carbonitrile
PubChem CID104960206
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name1-(cyclopropylamino)-2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]cyclopentane-1-carbonitrile
SMILESC[C@@H]1CN(CCC2CCCC2(C#N)NC2CC2)C[C@H](C)O1
InChIInChI=1S/C17H29N3O/c1-13-10-20(11-14(2)21-13)9-7-15-4-3-8-17(15,12-18)19-16-5-6-16/h13-16,19H,3-11H2,1-2H3/t13-,14+,15?,17?
InChIKeyFMHHCNNKIUKWAF-KWOWKCNFSA-N
XLogP2.30
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(cyclopropylamino)-2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]cyclopentane-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-(cyclopropylamino)-2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]cyclopentane-1-carbonitrile (CID 104960206) is 1-(cyclopropylamino)-2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(cyclopropylamino)-2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(cyclopropylamino)-2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]cyclopentane-1-carbonitrile is C[C@@H]1CN(CCC2CCCC2(C#N)NC2CC2)C[C@H](C)O1.
What is the InChIKey of 1-(cyclopropylamino)-2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]cyclopentane-1-carbonitrile?
The InChIKey is FMHHCNNKIUKWAF-KWOWKCNFSA-N. The full InChI is InChI=1S/C17H29N3O/c1-13-10-20(11-14(2)21-13)9-7-15-4-3-8-17(15,12-18)19-16-5-6-16/h13-16,19H,3-11H2,1-2H3/t13-,14+,15?,17?.
What are the key properties of 1-(cyclopropylamino)-2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]cyclopentane-1-carbonitrile?
1-(cyclopropylamino)-2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]cyclopentane-1-carbonitrile has a molecular weight of 291.44 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 104960206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).