(Z)-2-(cyclohexylamino)-3-methylpent-2-enenitrile

C12H20N2 — CID 134892667

IUPAC(Z)-2-(cyclohexylamino)-3-methylpent-2-enenitrile
SMILESCC/C(C)=C(/C#N)NC1CCCCC1
InChIInChI=1S/C12H20N2/c1-3-10(2)12(9-13)14-11-7-5-4-6-8-11/h11,14H,3-8H2,1-2H3/b12-10-
InChIKeyAIBTZYJAYIGVOL-BENRWUELSA-N
MW192.31 g/mol
LogP3.12
Rot. Bonds3

About (Z)-2-(cyclohexylamino)-3-methylpent-2-enenitrile

(Z)-2-(cyclohexylamino)-3-methylpent-2-enenitrile (PubChem CID 134892667) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is (Z)-2-(cyclohexylamino)-3-methylpent-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-(cyclohexylamino)-3-methylpent-2-enenitrile
PubChem CID134892667
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name(Z)-2-(cyclohexylamino)-3-methylpent-2-enenitrile
SMILESCC/C(C)=C(/C#N)NC1CCCCC1
InChIInChI=1S/C12H20N2/c1-3-10(2)12(9-13)14-11-7-5-4-6-8-11/h11,14H,3-8H2,1-2H3/b12-10-
InChIKeyAIBTZYJAYIGVOL-BENRWUELSA-N
XLogP3.12
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(cyclohexylamino)-3-methylpent-2-enenitrile?
The IUPAC name of (Z)-2-(cyclohexylamino)-3-methylpent-2-enenitrile (CID 134892667) is (Z)-2-(cyclohexylamino)-3-methylpent-2-enenitrile.
What is the SMILES notation for (Z)-2-(cyclohexylamino)-3-methylpent-2-enenitrile?
The canonical SMILES for (Z)-2-(cyclohexylamino)-3-methylpent-2-enenitrile is CC/C(C)=C(/C#N)NC1CCCCC1.
What is the InChIKey of (Z)-2-(cyclohexylamino)-3-methylpent-2-enenitrile?
The InChIKey is AIBTZYJAYIGVOL-BENRWUELSA-N. The full InChI is InChI=1S/C12H20N2/c1-3-10(2)12(9-13)14-11-7-5-4-6-8-11/h11,14H,3-8H2,1-2H3/b12-10-.
What are the key properties of (Z)-2-(cyclohexylamino)-3-methylpent-2-enenitrile?
(Z)-2-(cyclohexylamino)-3-methylpent-2-enenitrile has a molecular weight of 192.31 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(cyclohexylamino)-3-methylpent-2-enenitrile is sourced from PubChem (CID 134892667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).