N'-(2-cyclohexa-1,5-dien-1-ylpropyl)-N-methylethane-1,2-diamine;ethane

C14H28N2 — CID 143913758

IUPACN'-(2-cyclohexa-1,5-dien-1-ylpropyl)-N-methylethane-1,2-diamine;ethane
SMILESCC.CNCCNCC(C)C1=CCCC=C1
InChIInChI=1S/C12H22N2.C2H6/c1-11(10-14-9-8-13-2)12-6-4-3-5-7-12;1-2/h4,6-7,11,13-14H,3,5,8-10H2,1-2H3;1-2H3
InChIKeyYXGFRVHOZRPFME-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.73
Rot. Bonds6

About N'-(2-cyclohexa-1,5-dien-1-ylpropyl)-N-methylethane-1,2-diamine;ethane

N'-(2-cyclohexa-1,5-dien-1-ylpropyl)-N-methylethane-1,2-diamine;ethane (PubChem CID 143913758) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N'-(2-cyclohexa-1,5-dien-1-ylpropyl)-N-methylethane-1,2-diamine;ethane.

Molecular Properties

Compound NameN'-(2-cyclohexa-1,5-dien-1-ylpropyl)-N-methylethane-1,2-diamine;ethane
PubChem CID143913758
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN'-(2-cyclohexa-1,5-dien-1-ylpropyl)-N-methylethane-1,2-diamine;ethane
SMILESCC.CNCCNCC(C)C1=CCCC=C1
InChIInChI=1S/C12H22N2.C2H6/c1-11(10-14-9-8-13-2)12-6-4-3-5-7-12;1-2/h4,6-7,11,13-14H,3,5,8-10H2,1-2H3;1-2H3
InChIKeyYXGFRVHOZRPFME-UHFFFAOYSA-N
XLogP2.73
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2-cyclohexa-1,5-dien-1-ylpropyl)-N-methylethane-1,2-diamine;ethane?
The IUPAC name of N'-(2-cyclohexa-1,5-dien-1-ylpropyl)-N-methylethane-1,2-diamine;ethane (CID 143913758) is N'-(2-cyclohexa-1,5-dien-1-ylpropyl)-N-methylethane-1,2-diamine;ethane.
What is the SMILES notation for N'-(2-cyclohexa-1,5-dien-1-ylpropyl)-N-methylethane-1,2-diamine;ethane?
The canonical SMILES for N'-(2-cyclohexa-1,5-dien-1-ylpropyl)-N-methylethane-1,2-diamine;ethane is CC.CNCCNCC(C)C1=CCCC=C1.
What is the InChIKey of N'-(2-cyclohexa-1,5-dien-1-ylpropyl)-N-methylethane-1,2-diamine;ethane?
The InChIKey is YXGFRVHOZRPFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2.C2H6/c1-11(10-14-9-8-13-2)12-6-4-3-5-7-12;1-2/h4,6-7,11,13-14H,3,5,8-10H2,1-2H3;1-2H3.
What are the key properties of N'-(2-cyclohexa-1,5-dien-1-ylpropyl)-N-methylethane-1,2-diamine;ethane?
N'-(2-cyclohexa-1,5-dien-1-ylpropyl)-N-methylethane-1,2-diamine;ethane has a molecular weight of 224.39 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-cyclohexa-1,5-dien-1-ylpropyl)-N-methylethane-1,2-diamine;ethane is sourced from PubChem (CID 143913758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).