[3,6-bis(dimethylamino)-1-methylcyclohexa-2,4-dien-1-yl]phosphanium

C11H22N2P+ — CID 160796828

IUPAC[3,6-bis(dimethylamino)-1-methylcyclohexa-2,4-dien-1-yl]phosphanium
SMILESCN(C)C1=CC(C)([PH3+])C(N(C)C)C=C1
InChIInChI=1S/C11H21N2P/c1-11(14)8-9(12(2)3)6-7-10(11)13(4)5/h6-8,10H,14H2,1-5H3/p+1
InChIKeyOOKZKDYFNFVUHY-UHFFFAOYSA-O
MW213.28 g/mol
LogP1.30
Rot. Bonds2

About [3,6-bis(dimethylamino)-1-methylcyclohexa-2,4-dien-1-yl]phosphanium

[3,6-bis(dimethylamino)-1-methylcyclohexa-2,4-dien-1-yl]phosphanium (PubChem CID 160796828) has the molecular formula C11H22N2P+ and a molecular weight of 213.28 g/mol. Its IUPAC name is [3,6-bis(dimethylamino)-1-methylcyclohexa-2,4-dien-1-yl]phosphanium.

Molecular Properties

Compound Name[3,6-bis(dimethylamino)-1-methylcyclohexa-2,4-dien-1-yl]phosphanium
PubChem CID160796828
Molecular FormulaC11H22N2P+
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name[3,6-bis(dimethylamino)-1-methylcyclohexa-2,4-dien-1-yl]phosphanium
SMILESCN(C)C1=CC(C)([PH3+])C(N(C)C)C=C1
InChIInChI=1S/C11H21N2P/c1-11(14)8-9(12(2)3)6-7-10(11)13(4)5/h6-8,10H,14H2,1-5H3/p+1
InChIKeyOOKZKDYFNFVUHY-UHFFFAOYSA-O
XLogP1.30
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [3,6-bis(dimethylamino)-1-methylcyclohexa-2,4-dien-1-yl]phosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1,2-dimethyl-6-[(2R)-pent-4-en-2-yl]-2H-pyridine
CID 134838483
2,6-ditert-butyl-1-methyl-2H-pyridine
CID 53444027
2-tert-butyl-1-methyl-6-[(E)-prop-1-enyl]-2H-pyridine
CID 126513948
N-methyl-N-(3-methylbut-1-en-2-yl)cyclohexa-2,4-dien-1-amine
CID 129152514
4-(ethyldiazenyl)-N,N-dimethylcyclohexa-2,4-dien-1-amine
CID 134356799
N-but-1-en-2-yl-N,4-dimethylcyclohexa-2,4-dien-1-amine
CID 137474625
N,N,6-trimethyl-4-(methyldiazenyl)cyclohexa-2,4-dien-1-amine
CID 139380719
N,N-diethyl-1-methyl-2-propan-2-yl-2H-pyridin-5-amine
CID 139538970
1-N,1-N,4-N,4-N,3-pentamethyl-3-(phospholan-1-yl)cyclohexa-1,5-diene-1,4-diamine
CID 140640189
ethane;2-propan-2-yl-1-[(Z)-prop-1-enyl]-2H-pyridine
CID 142623932
1-N,1-N,4-N,4-N,3-pentamethyl-3-phosphanylcyclohexa-1,5-diene-1,4-diamine
CID 142717009
N-ethyl-4-methyl-N-propylcyclohexa-1,5-dien-1-amine;methane
CID 143122796

Frequently Asked Questions

What is the IUPAC name of [3,6-bis(dimethylamino)-1-methylcyclohexa-2,4-dien-1-yl]phosphanium?
The IUPAC name of [3,6-bis(dimethylamino)-1-methylcyclohexa-2,4-dien-1-yl]phosphanium (CID 160796828) is [3,6-bis(dimethylamino)-1-methylcyclohexa-2,4-dien-1-yl]phosphanium.
What is the SMILES notation for [3,6-bis(dimethylamino)-1-methylcyclohexa-2,4-dien-1-yl]phosphanium?
The canonical SMILES for [3,6-bis(dimethylamino)-1-methylcyclohexa-2,4-dien-1-yl]phosphanium is CN(C)C1=CC(C)([PH3+])C(N(C)C)C=C1.
What is the InChIKey of [3,6-bis(dimethylamino)-1-methylcyclohexa-2,4-dien-1-yl]phosphanium?
The InChIKey is OOKZKDYFNFVUHY-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H21N2P/c1-11(14)8-9(12(2)3)6-7-10(11)13(4)5/h6-8,10H,14H2,1-5H3/p+1.
What are the key properties of [3,6-bis(dimethylamino)-1-methylcyclohexa-2,4-dien-1-yl]phosphanium?
[3,6-bis(dimethylamino)-1-methylcyclohexa-2,4-dien-1-yl]phosphanium has a molecular weight of 213.28 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,6-bis(dimethylamino)-1-methylcyclohexa-2,4-dien-1-yl]phosphanium is sourced from PubChem (CID 160796828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).