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

C11H20N2 — CID 70422147

IUPAC1-N,1-N-diethyl-1-methylcyclohexa-3,5-diene-1,2-diamine
SMILESCCN(CC)C1(C)C=CC=CC1N
InChIInChI=1S/C11H20N2/c1-4-13(5-2)11(3)9-7-6-8-10(11)12/h6-10H,4-5,12H2,1-3H3
InChIKeyPKYJGRASIDJGBH-UHFFFAOYSA-N
MW180.29 g/mol
LogP1.54
Rot. Bonds3

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

1-N,1-N-diethyl-1-methylcyclohexa-3,5-diene-1,2-diamine (PubChem CID 70422147) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 1-N,1-N-diethyl-1-methylcyclohexa-3,5-diene-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N-diethyl-1-methylcyclohexa-3,5-diene-1,2-diamine
PubChem CID70422147
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name1-N,1-N-diethyl-1-methylcyclohexa-3,5-diene-1,2-diamine
SMILESCCN(CC)C1(C)C=CC=CC1N
InChIInChI=1S/C11H20N2/c1-4-13(5-2)11(3)9-7-6-8-10(11)12/h6-10H,4-5,12H2,1-3H3
InChIKeyPKYJGRASIDJGBH-UHFFFAOYSA-N
XLogP1.54
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.54
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?
The IUPAC name of 1-N,1-N-diethyl-1-methylcyclohexa-3,5-diene-1,2-diamine (CID 70422147) is 1-N,1-N-diethyl-1-methylcyclohexa-3,5-diene-1,2-diamine.
What is the SMILES notation for 1-N,1-N-diethyl-1-methylcyclohexa-3,5-diene-1,2-diamine?
The canonical SMILES for 1-N,1-N-diethyl-1-methylcyclohexa-3,5-diene-1,2-diamine is CCN(CC)C1(C)C=CC=CC1N.
What is the InChIKey of 1-N,1-N-diethyl-1-methylcyclohexa-3,5-diene-1,2-diamine?
The InChIKey is PKYJGRASIDJGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-4-13(5-2)11(3)9-7-6-8-10(11)12/h6-10H,4-5,12H2,1-3H3.
What are the key properties of 1-N,1-N-diethyl-1-methylcyclohexa-3,5-diene-1,2-diamine?
1-N,1-N-diethyl-1-methylcyclohexa-3,5-diene-1,2-diamine has a molecular weight of 180.29 g/mol, XLogP of 1.54, 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 is sourced from PubChem (CID 70422147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).