N'-(2-cyclohexa-1,4-dien-1-ylethyl)ethane-1,2-diamine

C10H18N2 — CID 91033379

IUPACN'-(2-cyclohexa-1,4-dien-1-ylethyl)ethane-1,2-diamine
SMILESNCCNCCC1=CCC=CC1
InChIInChI=1S/C10H18N2/c11-7-9-12-8-6-10-4-2-1-3-5-10/h1-2,5,12H,3-4,6-9,11H2
InChIKeyPDBBCOCAWLVRBR-UHFFFAOYSA-N
MW166.27 g/mol
LogP1.20
Rot. Bonds5

About N'-(2-cyclohexa-1,4-dien-1-ylethyl)ethane-1,2-diamine

N'-(2-cyclohexa-1,4-dien-1-ylethyl)ethane-1,2-diamine (PubChem CID 91033379) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is N'-(2-cyclohexa-1,4-dien-1-ylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-cyclohexa-1,4-dien-1-ylethyl)ethane-1,2-diamine
PubChem CID91033379
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC NameN'-(2-cyclohexa-1,4-dien-1-ylethyl)ethane-1,2-diamine
SMILESNCCNCCC1=CCC=CC1
InChIInChI=1S/C10H18N2/c11-7-9-12-8-6-10-4-2-1-3-5-10/h1-2,5,12H,3-4,6-9,11H2
InChIKeyPDBBCOCAWLVRBR-UHFFFAOYSA-N
XLogP1.20
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(3,7-dimethylocta-2,6-dienyl)ethane-1,2-diamine
CID 75147107
1,2-Ethanediamine, N1-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-
CID 46203485
N'-[4-(cyclohexa-1,3-dien-1-ylmethylamino)butyl]butane-1,4-diamine
CID 44398246
N,N'-bis[2-(cyclohexen-1-yl)ethyl]ethane-1,2-diamine
CID 16076314
N~1~-[2-(Cyclohex-1-en-1-yl)ethyl]-N~2~-pentylethane-1,2-diamine
CID 16076419
(6Z)-1-azacycloundec-6-ene
CID 11084081
4-Pentylidenepiperidine
CID 12078869
1,2,3,4,5,8-Hexahydroisoquinoline
CID 12228916
4-Butylidenepiperidine
CID 14966659
N,N-diethyl-2-(1,2,3,6-tetrahydropyridin-4-yl)ethanamine
CID 15289267
Methyl[2-(1-methyl-1,2,3,6-tetrahydropyridin-4-yl)ethyl]amine
CID 22451799
N'-(cyclohexen-1-ylmethyl)ethane-1,2-diamine
CID 53726633

Frequently Asked Questions

What is the IUPAC name of N'-(2-cyclohexa-1,4-dien-1-ylethyl)ethane-1,2-diamine?
The IUPAC name of N'-(2-cyclohexa-1,4-dien-1-ylethyl)ethane-1,2-diamine (CID 91033379) is N'-(2-cyclohexa-1,4-dien-1-ylethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-cyclohexa-1,4-dien-1-ylethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-cyclohexa-1,4-dien-1-ylethyl)ethane-1,2-diamine is NCCNCCC1=CCC=CC1.
What is the InChIKey of N'-(2-cyclohexa-1,4-dien-1-ylethyl)ethane-1,2-diamine?
The InChIKey is PDBBCOCAWLVRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c11-7-9-12-8-6-10-4-2-1-3-5-10/h1-2,5,12H,3-4,6-9,11H2.
What are the key properties of N'-(2-cyclohexa-1,4-dien-1-ylethyl)ethane-1,2-diamine?
N'-(2-cyclohexa-1,4-dien-1-ylethyl)ethane-1,2-diamine has a molecular weight of 166.27 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-cyclohexa-1,4-dien-1-ylethyl)ethane-1,2-diamine is sourced from PubChem (CID 91033379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).