4-N,4-N-diethylcyclohexa-1,3-diene-1,4-diamine

C10H18N2 — CID 70313310

IUPAC4-N,4-N-diethylcyclohexa-1,3-diene-1,4-diamine
SMILESCCN(CC)C1=CC=C(N)CC1
InChIInChI=1S/C10H18N2/c1-3-12(4-2)10-7-5-9(11)6-8-10/h5,7H,3-4,6,8,11H2,1-2H3
InChIKeyZVYBXWQKZWDVAN-UHFFFAOYSA-N
MW166.27 g/mol
LogP1.85
Rot. Bonds3

About 4-N,4-N-diethylcyclohexa-1,3-diene-1,4-diamine

4-N,4-N-diethylcyclohexa-1,3-diene-1,4-diamine (PubChem CID 70313310) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 4-N,4-N-diethylcyclohexa-1,3-diene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-diethylcyclohexa-1,3-diene-1,4-diamine
PubChem CID70313310
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name4-N,4-N-diethylcyclohexa-1,3-diene-1,4-diamine
SMILESCCN(CC)C1=CC=C(N)CC1
InChIInChI=1S/C10H18N2/c1-3-12(4-2)10-7-5-9(11)6-8-10/h5,7H,3-4,6,8,11H2,1-2H3
InChIKeyZVYBXWQKZWDVAN-UHFFFAOYSA-N
XLogP1.85
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethylcyclohexa-1,3-diene-1,4-diamine?
The IUPAC name of 4-N,4-N-diethylcyclohexa-1,3-diene-1,4-diamine (CID 70313310) is 4-N,4-N-diethylcyclohexa-1,3-diene-1,4-diamine.
What is the SMILES notation for 4-N,4-N-diethylcyclohexa-1,3-diene-1,4-diamine?
The canonical SMILES for 4-N,4-N-diethylcyclohexa-1,3-diene-1,4-diamine is CCN(CC)C1=CC=C(N)CC1.
What is the InChIKey of 4-N,4-N-diethylcyclohexa-1,3-diene-1,4-diamine?
The InChIKey is ZVYBXWQKZWDVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-3-12(4-2)10-7-5-9(11)6-8-10/h5,7H,3-4,6,8,11H2,1-2H3.
What are the key properties of 4-N,4-N-diethylcyclohexa-1,3-diene-1,4-diamine?
4-N,4-N-diethylcyclohexa-1,3-diene-1,4-diamine has a molecular weight of 166.27 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethylcyclohexa-1,3-diene-1,4-diamine is sourced from PubChem (CID 70313310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).