2-N-cyclohexa-2,4-dien-1-yl-2-N-prop-1-en-2-ylcyclohexa-1,3-diene-1,2-diamine

C15H20N2 — CID 89086841

IUPAC2-N-cyclohexa-2,4-dien-1-yl-2-N-prop-1-en-2-ylcyclohexa-1,3-diene-1,2-diamine
SMILESC=C(C)N(C1=C(N)CCC=C1)C1C=CC=CC1
InChIInChI=1S/C15H20N2/c1-12(2)17(13-8-4-3-5-9-13)15-11-7-6-10-14(15)16/h3-5,7-8,11,13H,1,6,9-10,16H2,2H3
InChIKeyHCPRNFCUJAYGNI-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.23
Rot. Bonds3

About 2-N-cyclohexa-2,4-dien-1-yl-2-N-prop-1-en-2-ylcyclohexa-1,3-diene-1,2-diamine

2-N-cyclohexa-2,4-dien-1-yl-2-N-prop-1-en-2-ylcyclohexa-1,3-diene-1,2-diamine (PubChem CID 89086841) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-N-cyclohexa-2,4-dien-1-yl-2-N-prop-1-en-2-ylcyclohexa-1,3-diene-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclohexa-2,4-dien-1-yl-2-N-prop-1-en-2-ylcyclohexa-1,3-diene-1,2-diamine
PubChem CID89086841
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name2-N-cyclohexa-2,4-dien-1-yl-2-N-prop-1-en-2-ylcyclohexa-1,3-diene-1,2-diamine
SMILESC=C(C)N(C1=C(N)CCC=C1)C1C=CC=CC1
InChIInChI=1S/C15H20N2/c1-12(2)17(13-8-4-3-5-9-13)15-11-7-6-10-14(15)16/h3-5,7-8,11,13H,1,6,9-10,16H2,2H3
InChIKeyHCPRNFCUJAYGNI-UHFFFAOYSA-N
XLogP3.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N-cyclohexa-2,4-dien-1-yl-2-N-prop-1-en-2-ylcyclohexa-1,3-diene-1,2-diamine?
The IUPAC name of 2-N-cyclohexa-2,4-dien-1-yl-2-N-prop-1-en-2-ylcyclohexa-1,3-diene-1,2-diamine (CID 89086841) is 2-N-cyclohexa-2,4-dien-1-yl-2-N-prop-1-en-2-ylcyclohexa-1,3-diene-1,2-diamine.
What is the SMILES notation for 2-N-cyclohexa-2,4-dien-1-yl-2-N-prop-1-en-2-ylcyclohexa-1,3-diene-1,2-diamine?
The canonical SMILES for 2-N-cyclohexa-2,4-dien-1-yl-2-N-prop-1-en-2-ylcyclohexa-1,3-diene-1,2-diamine is C=C(C)N(C1=C(N)CCC=C1)C1C=CC=CC1.
What is the InChIKey of 2-N-cyclohexa-2,4-dien-1-yl-2-N-prop-1-en-2-ylcyclohexa-1,3-diene-1,2-diamine?
The InChIKey is HCPRNFCUJAYGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-12(2)17(13-8-4-3-5-9-13)15-11-7-6-10-14(15)16/h3-5,7-8,11,13H,1,6,9-10,16H2,2H3.
What are the key properties of 2-N-cyclohexa-2,4-dien-1-yl-2-N-prop-1-en-2-ylcyclohexa-1,3-diene-1,2-diamine?
2-N-cyclohexa-2,4-dien-1-yl-2-N-prop-1-en-2-ylcyclohexa-1,3-diene-1,2-diamine has a molecular weight of 228.34 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclohexa-2,4-dien-1-yl-2-N-prop-1-en-2-ylcyclohexa-1,3-diene-1,2-diamine is sourced from PubChem (CID 89086841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).