2-imino-5-propylcyclohex-3-ene-1-carbonitrile

C10H14N2 — CID 123153943

IUPAC2-imino-5-propylcyclohex-3-ene-1-carbonitrile
SMILES[H]/N=C1\C=CC(CCC)CC1C#N
InChIInChI=1S/C10H14N2/c1-2-3-8-4-5-10(12)9(6-8)7-11/h4-5,8-9,12H,2-3,6H2,1H3/b12-10+
InChIKeyLJLSSRMVRNJMAX-ZRDIBKRKSA-N
MW162.24 g/mol
LogP2.52
Rot. Bonds2

About 2-imino-5-propylcyclohex-3-ene-1-carbonitrile

2-imino-5-propylcyclohex-3-ene-1-carbonitrile (PubChem CID 123153943) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 2-imino-5-propylcyclohex-3-ene-1-carbonitrile.

Molecular Properties

Compound Name2-imino-5-propylcyclohex-3-ene-1-carbonitrile
PubChem CID123153943
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name2-imino-5-propylcyclohex-3-ene-1-carbonitrile
SMILES[H]/N=C1\C=CC(CCC)CC1C#N
InChIInChI=1S/C10H14N2/c1-2-3-8-4-5-10(12)9(6-8)7-11/h4-5,8-9,12H,2-3,6H2,1H3/b12-10+
InChIKeyLJLSSRMVRNJMAX-ZRDIBKRKSA-N
XLogP2.52
TPSA47.64 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-Allyl-2,4-di(cyclohexen-1-yl)-3-imino-hept-6-enenitrile
CID 278460
3-Imino-5,5-dimethylcyclohexene-1-carbonitrile
CID 22672911
3-(5-Iminocyclohex-3-en-1-yl)prop-2-enenitrile
CID 57276247
2-Heptan-2-ylcyclohexa-2,5-diene-1,4-diimine
CID 69973378
(2S)-1-cyclohex-3-en-1-yl-2-methylbutan-1-imine
CID 89058429
6-Imino-4-prop-1-en-2-ylcyclohexene-1-carbonitrile
CID 89346723
2-(2-Ethanimidoyl-4,4-dimethylcyclohexen-1-yl)-4-methylhex-3-enenitrile
CID 91556387
4-Ethylcyclohept-2-en-1-imine
CID 123193620
(2Z)-5-methylcyclooct-2-en-1-imine
CID 123260294
4-Hexylcyclohex-2-en-1-imine
CID 123354145
2-Ethyl-4-imino-5-methylcyclohex-2-ene-1-carbonitrile
CID 123361225
4-Ethylcyclohex-2-en-1-imine
CID 123411281

Frequently Asked Questions

What is the IUPAC name of 2-imino-5-propylcyclohex-3-ene-1-carbonitrile?
The IUPAC name of 2-imino-5-propylcyclohex-3-ene-1-carbonitrile (CID 123153943) is 2-imino-5-propylcyclohex-3-ene-1-carbonitrile.
What is the SMILES notation for 2-imino-5-propylcyclohex-3-ene-1-carbonitrile?
The canonical SMILES for 2-imino-5-propylcyclohex-3-ene-1-carbonitrile is [H]/N=C1\C=CC(CCC)CC1C#N.
What is the InChIKey of 2-imino-5-propylcyclohex-3-ene-1-carbonitrile?
The InChIKey is LJLSSRMVRNJMAX-ZRDIBKRKSA-N. The full InChI is InChI=1S/C10H14N2/c1-2-3-8-4-5-10(12)9(6-8)7-11/h4-5,8-9,12H,2-3,6H2,1H3/b12-10+.
What are the key properties of 2-imino-5-propylcyclohex-3-ene-1-carbonitrile?
2-imino-5-propylcyclohex-3-ene-1-carbonitrile has a molecular weight of 162.24 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-5-propylcyclohex-3-ene-1-carbonitrile is sourced from PubChem (CID 123153943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).