1-N,1-N'-dimethyl-1-N'-(4-methylcyclohexen-1-yl)ethane-1,1-diamine

C11H22N2 — CID 123443027

IUPAC1-N,1-N'-dimethyl-1-N'-(4-methylcyclohexen-1-yl)ethane-1,1-diamine
SMILESCNC(C)N(C)C1=CCC(C)CC1
InChIInChI=1S/C11H22N2/c1-9-5-7-11(8-6-9)13(4)10(2)12-3/h7,9-10,12H,5-6,8H2,1-4H3
InChIKeyKZQRUEKHLMBHAJ-UHFFFAOYSA-N
MW182.31 g/mol
LogP2.19
Rot. Bonds3

About 1-N,1-N'-dimethyl-1-N'-(4-methylcyclohexen-1-yl)ethane-1,1-diamine

1-N,1-N'-dimethyl-1-N'-(4-methylcyclohexen-1-yl)ethane-1,1-diamine (PubChem CID 123443027) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-N,1-N'-dimethyl-1-N'-(4-methylcyclohexen-1-yl)ethane-1,1-diamine.

Molecular Properties

Compound Name1-N,1-N'-dimethyl-1-N'-(4-methylcyclohexen-1-yl)ethane-1,1-diamine
PubChem CID123443027
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name1-N,1-N'-dimethyl-1-N'-(4-methylcyclohexen-1-yl)ethane-1,1-diamine
SMILESCNC(C)N(C)C1=CCC(C)CC1
InChIInChI=1S/C11H22N2/c1-9-5-7-11(8-6-9)13(4)10(2)12-3/h7,9-10,12H,5-6,8H2,1-4H3
InChIKeyKZQRUEKHLMBHAJ-UHFFFAOYSA-N
XLogP2.19
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-N,1-N'-dimethyl-1-N'-(4-methylcyclohexen-1-yl)ethane-1,1-diamine 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

(3R,5S)-3-fluoro-3,5-dimethyl-N-(2-methylpropyl)cyclohexen-1-amine
CID 173813968
2-Aminohexahydroindole
CID 137321250
N-(2-ethylhexyl)cyclohexen-1-amine
CID 20487841
4,6-Dipropyl-1,2,3,4-tetrahydropyridine
CID 53951029
4-Ethyl-6-propan-2-yl-1,2,3,4-tetrahydropyridine
CID 68341261
2-Butyl-3,4,4,6-tetramethyl-1,2-dihydropyrimidine
CID 70456267
1-N'-cyclohexa-1,3-dien-1-yl-1-N'-hept-1-en-2-yl-1-N-methylethane-1,1-diamine
CID 89037607
N'-(cyclohexen-1-yl)-N-pentylmethanediamine
CID 89312625
(Z)-1-amino-1-[3-(ethylamino)cyclohex-3-en-1-yl]prop-1-ene-2-thiol
CID 89426007
3-methyl-2-pentyl-3a,6,7,7a-tetrahydro-1H-pyrrolo[2,3-b]pyridine
CID 89603860
3-Prop-2-enyl-1,2,5,6,6a,7-hexahydroperimidine
CID 89636903
N',N'-diethyl-N-(3-methylcyclohexen-1-yl)propane-1,3-diamine
CID 90999037

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N'-dimethyl-1-N'-(4-methylcyclohexen-1-yl)ethane-1,1-diamine?
The IUPAC name of 1-N,1-N'-dimethyl-1-N'-(4-methylcyclohexen-1-yl)ethane-1,1-diamine (CID 123443027) is 1-N,1-N'-dimethyl-1-N'-(4-methylcyclohexen-1-yl)ethane-1,1-diamine.
What is the SMILES notation for 1-N,1-N'-dimethyl-1-N'-(4-methylcyclohexen-1-yl)ethane-1,1-diamine?
The canonical SMILES for 1-N,1-N'-dimethyl-1-N'-(4-methylcyclohexen-1-yl)ethane-1,1-diamine is CNC(C)N(C)C1=CCC(C)CC1.
What is the InChIKey of 1-N,1-N'-dimethyl-1-N'-(4-methylcyclohexen-1-yl)ethane-1,1-diamine?
The InChIKey is KZQRUEKHLMBHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-9-5-7-11(8-6-9)13(4)10(2)12-3/h7,9-10,12H,5-6,8H2,1-4H3.
What are the key properties of 1-N,1-N'-dimethyl-1-N'-(4-methylcyclohexen-1-yl)ethane-1,1-diamine?
1-N,1-N'-dimethyl-1-N'-(4-methylcyclohexen-1-yl)ethane-1,1-diamine has a molecular weight of 182.31 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N'-dimethyl-1-N'-(4-methylcyclohexen-1-yl)ethane-1,1-diamine is sourced from PubChem (CID 123443027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).