1-N,1-N-diethyl-1-methylcyclohexa-3,5-diene-1,2-diamine;hydrochloride

C11H21ClN2 — CID 70422146

IUPAC1-N,1-N-diethyl-1-methylcyclohexa-3,5-diene-1,2-diamine;hydrochloride
SMILESCCN(CC)C1(C)C=CC=CC1N.Cl
InChIInChI=1S/C11H20N2.ClH/c1-4-13(5-2)11(3)9-7-6-8-10(11)12;/h6-10H,4-5,12H2,1-3H3;1H
InChIKeyYWISPBVSOAMVPL-UHFFFAOYSA-N
MW216.76 g/mol
LogP1.96
Rot. Bonds3

About 1-N,1-N-diethyl-1-methylcyclohexa-3,5-diene-1,2-diamine;hydrochloride

1-N,1-N-diethyl-1-methylcyclohexa-3,5-diene-1,2-diamine;hydrochloride (PubChem CID 70422146) has the molecular formula C11H21ClN2 and a molecular weight of 216.76 g/mol. Its IUPAC name is 1-N,1-N-diethyl-1-methylcyclohexa-3,5-diene-1,2-diamine;hydrochloride.

Molecular Properties

Compound Name1-N,1-N-diethyl-1-methylcyclohexa-3,5-diene-1,2-diamine;hydrochloride
PubChem CID70422146
Molecular FormulaC11H21ClN2
Molecular Weight216.76 g/mol
Exact Mass216.14
IUPAC Name1-N,1-N-diethyl-1-methylcyclohexa-3,5-diene-1,2-diamine;hydrochloride
SMILESCCN(CC)C1(C)C=CC=CC1N.Cl
InChIInChI=1S/C11H20N2.ClH/c1-4-13(5-2)11(3)9-7-6-8-10(11)12;/h6-10H,4-5,12H2,1-3H3;1H
InChIKeyYWISPBVSOAMVPL-UHFFFAOYSA-N
XLogP1.96
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.76
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethyl-1-methylcyclohexa-3,5-diene-1,2-diamine;hydrochloride?
The IUPAC name of 1-N,1-N-diethyl-1-methylcyclohexa-3,5-diene-1,2-diamine;hydrochloride (CID 70422146) is 1-N,1-N-diethyl-1-methylcyclohexa-3,5-diene-1,2-diamine;hydrochloride.
What is the SMILES notation for 1-N,1-N-diethyl-1-methylcyclohexa-3,5-diene-1,2-diamine;hydrochloride?
The canonical SMILES for 1-N,1-N-diethyl-1-methylcyclohexa-3,5-diene-1,2-diamine;hydrochloride is CCN(CC)C1(C)C=CC=CC1N.Cl.
What is the InChIKey of 1-N,1-N-diethyl-1-methylcyclohexa-3,5-diene-1,2-diamine;hydrochloride?
The InChIKey is YWISPBVSOAMVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2.ClH/c1-4-13(5-2)11(3)9-7-6-8-10(11)12;/h6-10H,4-5,12H2,1-3H3;1H.
What are the key properties of 1-N,1-N-diethyl-1-methylcyclohexa-3,5-diene-1,2-diamine;hydrochloride?
1-N,1-N-diethyl-1-methylcyclohexa-3,5-diene-1,2-diamine;hydrochloride has a molecular weight of 216.76 g/mol, XLogP of 1.96, 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-diethyl-1-methylcyclohexa-3,5-diene-1,2-diamine;hydrochloride is sourced from PubChem (CID 70422146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).