2-[2-(cyclohexen-1-yl)ethylamino]-4-methylpentanenitrile

C14H24N2 — CID 112511200

IUPAC2-[2-(cyclohexen-1-yl)ethylamino]-4-methylpentanenitrile
SMILESCC(C)CC(C#N)NCCC1=CCCCC1
InChIInChI=1S/C14H24N2/c1-12(2)10-14(11-15)16-9-8-13-6-4-3-5-7-13/h6,12,14,16H,3-5,7-10H2,1-2H3
InChIKeyPZQIWYYCRZFPTH-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.40
Rot. Bonds6

About 2-[2-(cyclohexen-1-yl)ethylamino]-4-methylpentanenitrile

2-[2-(cyclohexen-1-yl)ethylamino]-4-methylpentanenitrile (PubChem CID 112511200) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-[2-(cyclohexen-1-yl)ethylamino]-4-methylpentanenitrile.

Molecular Properties

Compound Name2-[2-(cyclohexen-1-yl)ethylamino]-4-methylpentanenitrile
PubChem CID112511200
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name2-[2-(cyclohexen-1-yl)ethylamino]-4-methylpentanenitrile
SMILESCC(C)CC(C#N)NCCC1=CCCCC1
InChIInChI=1S/C14H24N2/c1-12(2)10-14(11-15)16-9-8-13-6-4-3-5-7-13/h6,12,14,16H,3-5,7-10H2,1-2H3
InChIKeyPZQIWYYCRZFPTH-UHFFFAOYSA-N
XLogP3.40
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-[2-(cyclohexen-1-yl)ethyl]-3-methylbutan-2-amine
CID 28620859
N-[2-(cyclohexen-1-yl)ethyl]-3-methoxybutan-2-amine
CID 115704085
(2S)-N-[2-(cyclohexen-1-yl)ethyl]-1-methoxypropan-2-amine
CID 94473033
(1S)-N-[2-(cyclohexen-1-yl)ethyl]-1-phenylethanamine
CID 29052043
N-[2-(cyclohexen-1-yl)ethyl]-1-phenylethanamine;hydrobromide
CID 167864484
2-(cyclohexen-1-yl)-N-(dicyclopropylmethyl)ethanamine
CID 43362810
N-[2-(cyclohexen-1-yl)ethyl]-1-(5-methylfuran-2-yl)ethanamine
CID 43103195
N-[2-(cyclopenten-1-yl)ethyl]pentan-2-amine
CID 103904430
N-[2-(cyclopenten-1-yl)ethyl]-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 106169289
1-[2-(cyclohexen-1-yl)ethyl]-3-(3-methylbutyl)urea
CID 110299684
N-[2-(cyclopenten-1-yl)ethyl]-1-cyclopropylpropan-2-amine
CID 115895912
2-chloro-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 3498774

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexen-1-yl)ethylamino]-4-methylpentanenitrile?
The IUPAC name of 2-[2-(cyclohexen-1-yl)ethylamino]-4-methylpentanenitrile (CID 112511200) is 2-[2-(cyclohexen-1-yl)ethylamino]-4-methylpentanenitrile.
What is the SMILES notation for 2-[2-(cyclohexen-1-yl)ethylamino]-4-methylpentanenitrile?
The canonical SMILES for 2-[2-(cyclohexen-1-yl)ethylamino]-4-methylpentanenitrile is CC(C)CC(C#N)NCCC1=CCCCC1.
What is the InChIKey of 2-[2-(cyclohexen-1-yl)ethylamino]-4-methylpentanenitrile?
The InChIKey is PZQIWYYCRZFPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-12(2)10-14(11-15)16-9-8-13-6-4-3-5-7-13/h6,12,14,16H,3-5,7-10H2,1-2H3.
What are the key properties of 2-[2-(cyclohexen-1-yl)ethylamino]-4-methylpentanenitrile?
2-[2-(cyclohexen-1-yl)ethylamino]-4-methylpentanenitrile has a molecular weight of 220.36 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohexen-1-yl)ethylamino]-4-methylpentanenitrile is sourced from PubChem (CID 112511200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).