1-N'-cyclohexa-1,3-dien-1-yl-1-cyclohexa-1,5-dien-1-yl-1-N-methylethane-1,1-diamine

C15H22N2 — CID 88892209

IUPAC1-N'-cyclohexa-1,3-dien-1-yl-1-cyclohexa-1,5-dien-1-yl-1-N-methylethane-1,1-diamine
SMILESCNC(C)(NC1=CC=CCC1)C1=CCCC=C1
InChIInChI=1S/C15H22N2/c1-15(16-2,13-9-5-3-6-10-13)17-14-11-7-4-8-12-14/h4-5,7,9-11,16-17H,3,6,8,12H2,1-2H3
InChIKeyHYIQYUBVVUMLBP-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.02
Rot. Bonds4

About 1-N'-cyclohexa-1,3-dien-1-yl-1-cyclohexa-1,5-dien-1-yl-1-N-methylethane-1,1-diamine

1-N'-cyclohexa-1,3-dien-1-yl-1-cyclohexa-1,5-dien-1-yl-1-N-methylethane-1,1-diamine (PubChem CID 88892209) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-N'-cyclohexa-1,3-dien-1-yl-1-cyclohexa-1,5-dien-1-yl-1-N-methylethane-1,1-diamine.

Molecular Properties

Compound Name1-N'-cyclohexa-1,3-dien-1-yl-1-cyclohexa-1,5-dien-1-yl-1-N-methylethane-1,1-diamine
PubChem CID88892209
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name1-N'-cyclohexa-1,3-dien-1-yl-1-cyclohexa-1,5-dien-1-yl-1-N-methylethane-1,1-diamine
SMILESCNC(C)(NC1=CC=CCC1)C1=CCCC=C1
InChIInChI=1S/C15H22N2/c1-15(16-2,13-9-5-3-6-10-13)17-14-11-7-4-8-12-14/h4-5,7,9-11,16-17H,3,6,8,12H2,1-2H3
InChIKeyHYIQYUBVVUMLBP-UHFFFAOYSA-N
XLogP3.02
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N'-cyclohexa-1,3-dien-1-yl-1-cyclohexa-1,5-dien-1-yl-1-N-methylethane-1,1-diamine?
The IUPAC name of 1-N'-cyclohexa-1,3-dien-1-yl-1-cyclohexa-1,5-dien-1-yl-1-N-methylethane-1,1-diamine (CID 88892209) is 1-N'-cyclohexa-1,3-dien-1-yl-1-cyclohexa-1,5-dien-1-yl-1-N-methylethane-1,1-diamine.
What is the SMILES notation for 1-N'-cyclohexa-1,3-dien-1-yl-1-cyclohexa-1,5-dien-1-yl-1-N-methylethane-1,1-diamine?
The canonical SMILES for 1-N'-cyclohexa-1,3-dien-1-yl-1-cyclohexa-1,5-dien-1-yl-1-N-methylethane-1,1-diamine is CNC(C)(NC1=CC=CCC1)C1=CCCC=C1.
What is the InChIKey of 1-N'-cyclohexa-1,3-dien-1-yl-1-cyclohexa-1,5-dien-1-yl-1-N-methylethane-1,1-diamine?
The InChIKey is HYIQYUBVVUMLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-15(16-2,13-9-5-3-6-10-13)17-14-11-7-4-8-12-14/h4-5,7,9-11,16-17H,3,6,8,12H2,1-2H3.
What are the key properties of 1-N'-cyclohexa-1,3-dien-1-yl-1-cyclohexa-1,5-dien-1-yl-1-N-methylethane-1,1-diamine?
1-N'-cyclohexa-1,3-dien-1-yl-1-cyclohexa-1,5-dien-1-yl-1-N-methylethane-1,1-diamine has a molecular weight of 230.35 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-cyclohexa-1,3-dien-1-yl-1-cyclohexa-1,5-dien-1-yl-1-N-methylethane-1,1-diamine is sourced from PubChem (CID 88892209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).