2-N-ethyl-2-N-prop-1-en-2-ylcyclohexa-1,3-diene-1,2-diamine

C11H18N2 — CID 89038774

IUPAC2-N-ethyl-2-N-prop-1-en-2-ylcyclohexa-1,3-diene-1,2-diamine
SMILESC=C(C)N(CC)C1=C(N)CCC=C1
InChIInChI=1S/C11H18N2/c1-4-13(9(2)3)11-8-6-5-7-10(11)12/h6,8H,2,4-5,7,12H2,1,3H3
InChIKeyPRLOKKWCOXZPQR-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.36
Rot. Bonds3

About 2-N-ethyl-2-N-prop-1-en-2-ylcyclohexa-1,3-diene-1,2-diamine

2-N-ethyl-2-N-prop-1-en-2-ylcyclohexa-1,3-diene-1,2-diamine (PubChem CID 89038774) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 2-N-ethyl-2-N-prop-1-en-2-ylcyclohexa-1,3-diene-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-N-prop-1-en-2-ylcyclohexa-1,3-diene-1,2-diamine
PubChem CID89038774
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name2-N-ethyl-2-N-prop-1-en-2-ylcyclohexa-1,3-diene-1,2-diamine
SMILESC=C(C)N(CC)C1=C(N)CCC=C1
InChIInChI=1S/C11H18N2/c1-4-13(9(2)3)11-8-6-5-7-10(11)12/h6,8H,2,4-5,7,12H2,1,3H3
InChIKeyPRLOKKWCOXZPQR-UHFFFAOYSA-N
XLogP2.36
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-N-prop-1-en-2-ylcyclohexa-1,3-diene-1,2-diamine?
The IUPAC name of 2-N-ethyl-2-N-prop-1-en-2-ylcyclohexa-1,3-diene-1,2-diamine (CID 89038774) is 2-N-ethyl-2-N-prop-1-en-2-ylcyclohexa-1,3-diene-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-2-N-prop-1-en-2-ylcyclohexa-1,3-diene-1,2-diamine?
The canonical SMILES for 2-N-ethyl-2-N-prop-1-en-2-ylcyclohexa-1,3-diene-1,2-diamine is C=C(C)N(CC)C1=C(N)CCC=C1.
What is the InChIKey of 2-N-ethyl-2-N-prop-1-en-2-ylcyclohexa-1,3-diene-1,2-diamine?
The InChIKey is PRLOKKWCOXZPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-4-13(9(2)3)11-8-6-5-7-10(11)12/h6,8H,2,4-5,7,12H2,1,3H3.
What are the key properties of 2-N-ethyl-2-N-prop-1-en-2-ylcyclohexa-1,3-diene-1,2-diamine?
2-N-ethyl-2-N-prop-1-en-2-ylcyclohexa-1,3-diene-1,2-diamine has a molecular weight of 178.28 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-N-prop-1-en-2-ylcyclohexa-1,3-diene-1,2-diamine is sourced from PubChem (CID 89038774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).