N'-(1,4-dimethylcyclohexa-2,4-dien-1-yl)-N,N,N'-trimethylethane-1,2-diamine

C13H24N2 — CID 78016328

IUPACN'-(1,4-dimethylcyclohexa-2,4-dien-1-yl)-N,N,N'-trimethylethane-1,2-diamine
SMILESCC1=CCC(C)(N(C)CCN(C)C)C=C1
InChIInChI=1S/C13H24N2/c1-12-6-8-13(2,9-7-12)15(5)11-10-14(3)4/h6-8H,9-11H2,1-5H3
InChIKeyIJEAQYXQAYIAJY-UHFFFAOYSA-N
MW208.35 g/mol
LogP2.14
Rot. Bonds4

About N'-(1,4-dimethylcyclohexa-2,4-dien-1-yl)-N,N,N'-trimethylethane-1,2-diamine

N'-(1,4-dimethylcyclohexa-2,4-dien-1-yl)-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 78016328) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is N'-(1,4-dimethylcyclohexa-2,4-dien-1-yl)-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1,4-dimethylcyclohexa-2,4-dien-1-yl)-N,N,N'-trimethylethane-1,2-diamine
PubChem CID78016328
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC NameN'-(1,4-dimethylcyclohexa-2,4-dien-1-yl)-N,N,N'-trimethylethane-1,2-diamine
SMILESCC1=CCC(C)(N(C)CCN(C)C)C=C1
InChIInChI=1S/C13H24N2/c1-12-6-8-13(2,9-7-12)15(5)11-10-14(3)4/h6-8H,9-11H2,1-5H3
InChIKeyIJEAQYXQAYIAJY-UHFFFAOYSA-N
XLogP2.14
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-(1,4-dimethylcyclohexa-2,4-dien-1-yl)-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-(1,4-dimethylcyclohexa-2,4-dien-1-yl)-N,N,N'-trimethylethane-1,2-diamine (CID 78016328) is N'-(1,4-dimethylcyclohexa-2,4-dien-1-yl)-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-(1,4-dimethylcyclohexa-2,4-dien-1-yl)-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-(1,4-dimethylcyclohexa-2,4-dien-1-yl)-N,N,N'-trimethylethane-1,2-diamine is CC1=CCC(C)(N(C)CCN(C)C)C=C1.
What is the InChIKey of N'-(1,4-dimethylcyclohexa-2,4-dien-1-yl)-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is IJEAQYXQAYIAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-12-6-8-13(2,9-7-12)15(5)11-10-14(3)4/h6-8H,9-11H2,1-5H3.
What are the key properties of N'-(1,4-dimethylcyclohexa-2,4-dien-1-yl)-N,N,N'-trimethylethane-1,2-diamine?
N'-(1,4-dimethylcyclohexa-2,4-dien-1-yl)-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 208.35 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,4-dimethylcyclohexa-2,4-dien-1-yl)-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 78016328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).