N-ethyl-N,N'-dimethyl-N'-(2-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine

C13H24N2 — CID 142886818

IUPACN-ethyl-N,N'-dimethyl-N'-(2-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine
SMILESCCN(C)CCN(C)C1=C(C)C=CCC1
InChIInChI=1S/C13H24N2/c1-5-14(3)10-11-15(4)13-9-7-6-8-12(13)2/h6,8H,5,7,9-11H2,1-4H3
InChIKeyXBOMYMMSJOYATR-UHFFFAOYSA-N
MW208.35 g/mol
LogP2.49
Rot. Bonds5

About N-ethyl-N,N'-dimethyl-N'-(2-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine

N-ethyl-N,N'-dimethyl-N'-(2-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine (PubChem CID 142886818) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is N-ethyl-N,N'-dimethyl-N'-(2-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-N,N'-dimethyl-N'-(2-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine
PubChem CID142886818
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC NameN-ethyl-N,N'-dimethyl-N'-(2-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine
SMILESCCN(C)CCN(C)C1=C(C)C=CCC1
InChIInChI=1S/C13H24N2/c1-5-14(3)10-11-15(4)13-9-7-6-8-12(13)2/h6,8H,5,7,9-11H2,1-4H3
InChIKeyXBOMYMMSJOYATR-UHFFFAOYSA-N
XLogP2.49
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N,N'-dimethyl-N'-(2-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine?
The IUPAC name of N-ethyl-N,N'-dimethyl-N'-(2-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine (CID 142886818) is N-ethyl-N,N'-dimethyl-N'-(2-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine.
What is the SMILES notation for N-ethyl-N,N'-dimethyl-N'-(2-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine?
The canonical SMILES for N-ethyl-N,N'-dimethyl-N'-(2-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine is CCN(C)CCN(C)C1=C(C)C=CCC1.
What is the InChIKey of N-ethyl-N,N'-dimethyl-N'-(2-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine?
The InChIKey is XBOMYMMSJOYATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-5-14(3)10-11-15(4)13-9-7-6-8-12(13)2/h6,8H,5,7,9-11H2,1-4H3.
What are the key properties of N-ethyl-N,N'-dimethyl-N'-(2-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine?
N-ethyl-N,N'-dimethyl-N'-(2-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine has a molecular weight of 208.35 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N,N'-dimethyl-N'-(2-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine is sourced from PubChem (CID 142886818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).