2-[4-(dipropylamino)cyclohexylidene]acetonitrile

C14H24N2 — CID 10775317

IUPAC2-[4-(dipropylamino)cyclohexylidene]acetonitrile
SMILESCCCN(CCC)C1CCC(=CC#N)CC1
InChIInChI=1S/C14H24N2/c1-3-11-16(12-4-2)14-7-5-13(6-8-14)9-10-15/h9,14H,3-8,11-12H2,1-2H3/b13-9-
InChIKeyFMKZTRTUGPXJFV-LCYFTJDESA-N
MW220.36 g/mol
LogP3.50
Rot. Bonds5

About 2-[4-(dipropylamino)cyclohexylidene]acetonitrile

2-[4-(dipropylamino)cyclohexylidene]acetonitrile (PubChem CID 10775317) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-[4-(dipropylamino)cyclohexylidene]acetonitrile.

Molecular Properties

Compound Name2-[4-(dipropylamino)cyclohexylidene]acetonitrile
PubChem CID10775317
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name2-[4-(dipropylamino)cyclohexylidene]acetonitrile
SMILESCCCN(CCC)C1CCC(=CC#N)CC1
InChIInChI=1S/C14H24N2/c1-3-11-16(12-4-2)14-7-5-13(6-8-14)9-10-15/h9,14H,3-8,11-12H2,1-2H3/b13-9-
InChIKeyFMKZTRTUGPXJFV-LCYFTJDESA-N
XLogP3.50
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.50
H-Bond Donors ≤ 50
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 2-[4-(dipropylamino)cyclohexylidene]acetonitrile?
The IUPAC name of 2-[4-(dipropylamino)cyclohexylidene]acetonitrile (CID 10775317) is 2-[4-(dipropylamino)cyclohexylidene]acetonitrile.
What is the SMILES notation for 2-[4-(dipropylamino)cyclohexylidene]acetonitrile?
The canonical SMILES for 2-[4-(dipropylamino)cyclohexylidene]acetonitrile is CCCN(CCC)C1CCC(=CC#N)CC1.
What is the InChIKey of 2-[4-(dipropylamino)cyclohexylidene]acetonitrile?
The InChIKey is FMKZTRTUGPXJFV-LCYFTJDESA-N. The full InChI is InChI=1S/C14H24N2/c1-3-11-16(12-4-2)14-7-5-13(6-8-14)9-10-15/h9,14H,3-8,11-12H2,1-2H3/b13-9-.
What are the key properties of 2-[4-(dipropylamino)cyclohexylidene]acetonitrile?
2-[4-(dipropylamino)cyclohexylidene]acetonitrile has a molecular weight of 220.36 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dipropylamino)cyclohexylidene]acetonitrile is sourced from PubChem (CID 10775317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).