N,2-dimethyl-6-[(Z)-pent-3-en-2-yl]cyclohexa-2,4-dien-1-imine

C13H19N — CID 142805410

IUPACN,2-dimethyl-6-[(Z)-pent-3-en-2-yl]cyclohexa-2,4-dien-1-imine
SMILESC/C=C\C(C)C1C=CC=C(C)/C1=N\C
InChIInChI=1S/C13H19N/c1-5-7-10(2)12-9-6-8-11(3)13(12)14-4/h5-10,12H,1-4H3/b7-5-,14-13+
InChIKeyPFSBYRCMHRQCDK-JEASJYNGSA-N
MW189.30 g/mol
LogP3.40
Rot. Bonds2

About N,2-dimethyl-6-[(Z)-pent-3-en-2-yl]cyclohexa-2,4-dien-1-imine

N,2-dimethyl-6-[(Z)-pent-3-en-2-yl]cyclohexa-2,4-dien-1-imine (PubChem CID 142805410) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is N,2-dimethyl-6-[(Z)-pent-3-en-2-yl]cyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound NameN,2-dimethyl-6-[(Z)-pent-3-en-2-yl]cyclohexa-2,4-dien-1-imine
PubChem CID142805410
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC NameN,2-dimethyl-6-[(Z)-pent-3-en-2-yl]cyclohexa-2,4-dien-1-imine
SMILESC/C=C\C(C)C1C=CC=C(C)/C1=N\C
InChIInChI=1S/C13H19N/c1-5-7-10(2)12-9-6-8-11(3)13(12)14-4/h5-10,12H,1-4H3/b7-5-,14-13+
InChIKeyPFSBYRCMHRQCDK-JEASJYNGSA-N
XLogP3.40
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,2-dimethyl-6-[(Z)-pent-3-en-2-yl]cyclohexa-2,4-dien-1-imine with MolForge

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Related Compounds

(6Z)-6-ethylidene-4-fluoro-5-heptan-3-yl-N-methylcyclohex-2-en-1-imine
CID 123416100
2,6-Di(propan-2-yl)cyclohexa-2,4-dien-1-imine
CID 17962987
N-methyl-3,4-di(propan-2-yl)cyclohex-2-en-1-imine
CID 20631046
3-ethenyl-4,5,6-trimethyl-3a,7a-dihydro-1H-isoindole
CID 20634344
N,6-dimethyl-3,4,4a,8a-tetrahydro-2H-naphthalen-1-imine
CID 20827637
4-propan-2-yl-2H-benzimidazole
CID 58101930
N,6-di(propan-2-yl)cyclohexa-2,4-dien-1-imine
CID 58916542
5-(3-methylbutan-2-yl)-2H-benzimidazole;yttrium
CID 59568667
5-(2,3-dimethylbutan-2-yl)-2H-benzimidazole
CID 59568708
1-cyclohexa-1,3-dien-1-yl-N-methylethanimine
CID 59809510
N,2,3-trimethylcyclohex-3-en-1-imine
CID 68029995
(6Z)-6-[(2,4-dimethylcyclobutyl)methylidene]-N-methylcyclohexa-2,4-dien-1-imine
CID 68261447

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-6-[(Z)-pent-3-en-2-yl]cyclohexa-2,4-dien-1-imine?
The IUPAC name of N,2-dimethyl-6-[(Z)-pent-3-en-2-yl]cyclohexa-2,4-dien-1-imine (CID 142805410) is N,2-dimethyl-6-[(Z)-pent-3-en-2-yl]cyclohexa-2,4-dien-1-imine.
What is the SMILES notation for N,2-dimethyl-6-[(Z)-pent-3-en-2-yl]cyclohexa-2,4-dien-1-imine?
The canonical SMILES for N,2-dimethyl-6-[(Z)-pent-3-en-2-yl]cyclohexa-2,4-dien-1-imine is C/C=C\C(C)C1C=CC=C(C)/C1=N\C.
What is the InChIKey of N,2-dimethyl-6-[(Z)-pent-3-en-2-yl]cyclohexa-2,4-dien-1-imine?
The InChIKey is PFSBYRCMHRQCDK-JEASJYNGSA-N. The full InChI is InChI=1S/C13H19N/c1-5-7-10(2)12-9-6-8-11(3)13(12)14-4/h5-10,12H,1-4H3/b7-5-,14-13+.
What are the key properties of N,2-dimethyl-6-[(Z)-pent-3-en-2-yl]cyclohexa-2,4-dien-1-imine?
N,2-dimethyl-6-[(Z)-pent-3-en-2-yl]cyclohexa-2,4-dien-1-imine has a molecular weight of 189.30 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-6-[(Z)-pent-3-en-2-yl]cyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 142805410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).