N'-methyl-N'-octa-4,7-dienylethane-1,2-diamine

C11H22N2 — CID 87095781

IUPACN'-methyl-N'-octa-4,7-dienylethane-1,2-diamine
SMILESC=CCC=CCCCN(C)CCN
InChIInChI=1S/C11H22N2/c1-3-4-5-6-7-8-10-13(2)11-9-12/h3,5-6H,1,4,7-12H2,2H3
InChIKeyFUUDMLQBSXVSLG-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.79
Rot. Bonds8

About N'-methyl-N'-octa-4,7-dienylethane-1,2-diamine

N'-methyl-N'-octa-4,7-dienylethane-1,2-diamine (PubChem CID 87095781) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is N'-methyl-N'-octa-4,7-dienylethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-octa-4,7-dienylethane-1,2-diamine
PubChem CID87095781
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC NameN'-methyl-N'-octa-4,7-dienylethane-1,2-diamine
SMILESC=CCC=CCCCN(C)CCN
InChIInChI=1S/C11H22N2/c1-3-4-5-6-7-8-10-13(2)11-9-12/h3,5-6H,1,4,7-12H2,2H3
InChIKeyFUUDMLQBSXVSLG-UHFFFAOYSA-N
XLogP1.79
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.79
H-Bond Donors ≤ 51
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

2-[methyl-[(4Z)-octa-4,7-dienyl]amino]ethyl prop-2-enoate
CID 87095553
dodeca-1,4,10-triene
CID 174048310
N'-(3-fluoropropyl)-N'-methylethane-1,2-diamine
CID 81106784
N'-(2-aminoethyl)-N'-methylpentane-1,5-diamine
CID 57004343
(4Z)-dodeca-1,4-diene
CID 12525542
N-methyl-N-propylpent-4-en-1-amine
CID 91551262
trideca-1,4,11-triene
CID 172759150
pentadeca-1,4,9-triene
CID 174048539
N'-methyl-N'-prop-2-enylbutane-1,4-diamine
CID 21122644
pentadeca-1,4,8-triene
CID 174048494
hexadeca-1,4,8-triene
CID 174048525
N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;bis((9Z,12Z)-octadeca-9,12-dienoic acid)
CID 6455812

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-octa-4,7-dienylethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-octa-4,7-dienylethane-1,2-diamine (CID 87095781) is N'-methyl-N'-octa-4,7-dienylethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-octa-4,7-dienylethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-octa-4,7-dienylethane-1,2-diamine is C=CCC=CCCCN(C)CCN.
What is the InChIKey of N'-methyl-N'-octa-4,7-dienylethane-1,2-diamine?
The InChIKey is FUUDMLQBSXVSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-3-4-5-6-7-8-10-13(2)11-9-12/h3,5-6H,1,4,7-12H2,2H3.
What are the key properties of N'-methyl-N'-octa-4,7-dienylethane-1,2-diamine?
N'-methyl-N'-octa-4,7-dienylethane-1,2-diamine has a molecular weight of 182.31 g/mol, XLogP of 1.79, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-octa-4,7-dienylethane-1,2-diamine is sourced from PubChem (CID 87095781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).