(2S)-1-[4-(cyclohexylamino)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile

C16H26N4O — CID 67506593

IUPAC(2S)-1-[4-(cyclohexylamino)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile
SMILESN#C[C@@H]1CCCN1C(=O)C1CC(NC2CCCCC2)CN1
InChIInChI=1S/C16H26N4O/c17-10-14-7-4-8-20(14)16(21)15-9-13(11-18-15)19-12-5-2-1-3-6-12/h12-15,18-19H,1-9,11H2/t13?,14-,15?/m0/s1
InChIKeyVAKOYBQSJNWTKQ-SLTAFYQDSA-N
MW290.41 g/mol
LogP1.15
Rot. Bonds3

About (2S)-1-[4-(cyclohexylamino)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile

(2S)-1-[4-(cyclohexylamino)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile (PubChem CID 67506593) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is (2S)-1-[4-(cyclohexylamino)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name(2S)-1-[4-(cyclohexylamino)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile
PubChem CID67506593
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name(2S)-1-[4-(cyclohexylamino)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile
SMILESN#C[C@@H]1CCCN1C(=O)C1CC(NC2CCCCC2)CN1
InChIInChI=1S/C16H26N4O/c17-10-14-7-4-8-20(14)16(21)15-9-13(11-18-15)19-12-5-2-1-3-6-12/h12-15,18-19H,1-9,11H2/t13?,14-,15?/m0/s1
InChIKeyVAKOYBQSJNWTKQ-SLTAFYQDSA-N
XLogP1.15
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-(cyclohexylamino)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile?
The IUPAC name of (2S)-1-[4-(cyclohexylamino)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile (CID 67506593) is (2S)-1-[4-(cyclohexylamino)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile.
What is the SMILES notation for (2S)-1-[4-(cyclohexylamino)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile?
The canonical SMILES for (2S)-1-[4-(cyclohexylamino)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile is N#C[C@@H]1CCCN1C(=O)C1CC(NC2CCCCC2)CN1.
What is the InChIKey of (2S)-1-[4-(cyclohexylamino)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile?
The InChIKey is VAKOYBQSJNWTKQ-SLTAFYQDSA-N. The full InChI is InChI=1S/C16H26N4O/c17-10-14-7-4-8-20(14)16(21)15-9-13(11-18-15)19-12-5-2-1-3-6-12/h12-15,18-19H,1-9,11H2/t13?,14-,15?/m0/s1.
What are the key properties of (2S)-1-[4-(cyclohexylamino)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile?
(2S)-1-[4-(cyclohexylamino)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile has a molecular weight of 290.41 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-(cyclohexylamino)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile is sourced from PubChem (CID 67506593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).