1-N,1-N'-dimethyl-1-N-(4-methylcyclohexa-1,5-dien-1-yl)-1-N'-(2,5,5-trimethyl-3-methylidenehexan-2-yl)ethene-1,1-diamine

C21H36N2 — CID 126625706

IUPAC1-N,1-N'-dimethyl-1-N-(4-methylcyclohexa-1,5-dien-1-yl)-1-N'-(2,5,5-trimethyl-3-methylidenehexan-2-yl)ethene-1,1-diamine
SMILESC=C(N(C)C1=CCC(C)C=C1)N(C)C(C)(C)C(=C)CC(C)(C)C
InChIInChI=1S/C21H36N2/c1-16-11-13-19(14-12-16)22(9)18(3)23(10)21(7,8)17(2)15-20(4,5)6/h11,13-14,16H,2-3,12,15H2,1,4-10H3
InChIKeyARJYLMCIJWAGLW-UHFFFAOYSA-N
MW316.53 g/mol
LogP5.57
Rot. Bonds6

About 1-N,1-N'-dimethyl-1-N-(4-methylcyclohexa-1,5-dien-1-yl)-1-N'-(2,5,5-trimethyl-3-methylidenehexan-2-yl)ethene-1,1-diamine

1-N,1-N'-dimethyl-1-N-(4-methylcyclohexa-1,5-dien-1-yl)-1-N'-(2,5,5-trimethyl-3-methylidenehexan-2-yl)ethene-1,1-diamine (PubChem CID 126625706) has the molecular formula C21H36N2 and a molecular weight of 316.53 g/mol. Its IUPAC name is 1-N,1-N'-dimethyl-1-N-(4-methylcyclohexa-1,5-dien-1-yl)-1-N'-(2,5,5-trimethyl-3-methylidenehexan-2-yl)ethene-1,1-diamine.

Molecular Properties

Compound Name1-N,1-N'-dimethyl-1-N-(4-methylcyclohexa-1,5-dien-1-yl)-1-N'-(2,5,5-trimethyl-3-methylidenehexan-2-yl)ethene-1,1-diamine
PubChem CID126625706
Molecular FormulaC21H36N2
Molecular Weight316.53 g/mol
Exact Mass316.29
IUPAC Name1-N,1-N'-dimethyl-1-N-(4-methylcyclohexa-1,5-dien-1-yl)-1-N'-(2,5,5-trimethyl-3-methylidenehexan-2-yl)ethene-1,1-diamine
SMILESC=C(N(C)C1=CCC(C)C=C1)N(C)C(C)(C)C(=C)CC(C)(C)C
InChIInChI=1S/C21H36N2/c1-16-11-13-19(14-12-16)22(9)18(3)23(10)21(7,8)17(2)15-20(4,5)6/h11,13-14,16H,2-3,12,15H2,1,4-10H3
InChIKeyARJYLMCIJWAGLW-UHFFFAOYSA-N
XLogP5.57
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.53
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-N,1-N'-dimethyl-1-N-(4-methylcyclohexa-1,5-dien-1-yl)-1-N'-(2,5,5-trimethyl-3-methylidenehexan-2-yl)ethene-1,1-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N'-dimethyl-1-N-(4-methylcyclohexa-1,5-dien-1-yl)-1-N'-(2,5,5-trimethyl-3-methylidenehexan-2-yl)ethene-1,1-diamine?
The IUPAC name of 1-N,1-N'-dimethyl-1-N-(4-methylcyclohexa-1,5-dien-1-yl)-1-N'-(2,5,5-trimethyl-3-methylidenehexan-2-yl)ethene-1,1-diamine (CID 126625706) is 1-N,1-N'-dimethyl-1-N-(4-methylcyclohexa-1,5-dien-1-yl)-1-N'-(2,5,5-trimethyl-3-methylidenehexan-2-yl)ethene-1,1-diamine.
What is the SMILES notation for 1-N,1-N'-dimethyl-1-N-(4-methylcyclohexa-1,5-dien-1-yl)-1-N'-(2,5,5-trimethyl-3-methylidenehexan-2-yl)ethene-1,1-diamine?
The canonical SMILES for 1-N,1-N'-dimethyl-1-N-(4-methylcyclohexa-1,5-dien-1-yl)-1-N'-(2,5,5-trimethyl-3-methylidenehexan-2-yl)ethene-1,1-diamine is C=C(N(C)C1=CCC(C)C=C1)N(C)C(C)(C)C(=C)CC(C)(C)C.
What is the InChIKey of 1-N,1-N'-dimethyl-1-N-(4-methylcyclohexa-1,5-dien-1-yl)-1-N'-(2,5,5-trimethyl-3-methylidenehexan-2-yl)ethene-1,1-diamine?
The InChIKey is ARJYLMCIJWAGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N2/c1-16-11-13-19(14-12-16)22(9)18(3)23(10)21(7,8)17(2)15-20(4,5)6/h11,13-14,16H,2-3,12,15H2,1,4-10H3.
What are the key properties of 1-N,1-N'-dimethyl-1-N-(4-methylcyclohexa-1,5-dien-1-yl)-1-N'-(2,5,5-trimethyl-3-methylidenehexan-2-yl)ethene-1,1-diamine?
1-N,1-N'-dimethyl-1-N-(4-methylcyclohexa-1,5-dien-1-yl)-1-N'-(2,5,5-trimethyl-3-methylidenehexan-2-yl)ethene-1,1-diamine has a molecular weight of 316.53 g/mol, XLogP of 5.57, 6 rotatable bonds, 0 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-methylcyclohexa-1,5-dien-1-yl)-1-N'-(2,5,5-trimethyl-3-methylidenehexan-2-yl)ethene-1,1-diamine is sourced from PubChem (CID 126625706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).