N-(3-ethyl-5-methylhexa-1,5-dien-2-yl)-N',N'-dimethylethane-1,2-diamine

C13H26N2 — CID 130219694

IUPACN-(3-ethyl-5-methylhexa-1,5-dien-2-yl)-N',N'-dimethylethane-1,2-diamine
SMILESC=C(C)CC(CC)C(=C)NCCN(C)C
InChIInChI=1S/C13H26N2/c1-7-13(10-11(2)3)12(4)14-8-9-15(5)6/h13-14H,2,4,7-10H2,1,3,5-6H3
InChIKeyGPPQFZJVIVFEEW-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.64
Rot. Bonds8

About N-(3-ethyl-5-methylhexa-1,5-dien-2-yl)-N',N'-dimethylethane-1,2-diamine

N-(3-ethyl-5-methylhexa-1,5-dien-2-yl)-N',N'-dimethylethane-1,2-diamine (PubChem CID 130219694) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is N-(3-ethyl-5-methylhexa-1,5-dien-2-yl)-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-ethyl-5-methylhexa-1,5-dien-2-yl)-N',N'-dimethylethane-1,2-diamine
PubChem CID130219694
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC NameN-(3-ethyl-5-methylhexa-1,5-dien-2-yl)-N',N'-dimethylethane-1,2-diamine
SMILESC=C(C)CC(CC)C(=C)NCCN(C)C
InChIInChI=1S/C13H26N2/c1-7-13(10-11(2)3)12(4)14-8-9-15(5)6/h13-14H,2,4,7-10H2,1,3,5-6H3
InChIKeyGPPQFZJVIVFEEW-UHFFFAOYSA-N
XLogP2.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)ethyl]-4-methyl-2-[methyl(propanoyl)amino]pent-4-enamide
CID 154679932
N-[2-(dimethylamino)ethyl]-2-ethyl-4-oxohexanamide;ethane
CID 154679925
N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2-ethylbutanamide
CID 112991411
2-[dimethyl(2-methylprop-2-enyl)silyl]-N,N-dimethylethanamine
CID 87398390
N',N'-dimethyl-N-[1-[(Z)-2-methylpent-1-enyl]sulfanylethenyl]ethane-1,2-diamine
CID 142207703
(2R)-2-amino-N-[2-(dimethylamino)ethyl]propanamide
CID 40614324
N-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-2-ethylbutanamide
CID 113066227
N-[2-(dimethylamino)ethyl]-4-oxo-2-(propanoylamino)pentanamide
CID 169077280
N-[2-[acetyl(3-methylbutyl)amino]ethyl]-2-ethylbutanamide
CID 113056810
2-[acetyl(methyl)amino]-N-[2-(dimethylamino)ethyl]-4-oxopentanamide
CID 130218970
N-[2-(dimethylamino)ethyl]acetamide;ethane;molecular hydrogen
CID 156646595
2-acetamido-N-[2-(dimethylamino)ethyl]-4-oxopentanamide
CID 130218836

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-5-methylhexa-1,5-dien-2-yl)-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-(3-ethyl-5-methylhexa-1,5-dien-2-yl)-N',N'-dimethylethane-1,2-diamine (CID 130219694) is N-(3-ethyl-5-methylhexa-1,5-dien-2-yl)-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-(3-ethyl-5-methylhexa-1,5-dien-2-yl)-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-(3-ethyl-5-methylhexa-1,5-dien-2-yl)-N',N'-dimethylethane-1,2-diamine is C=C(C)CC(CC)C(=C)NCCN(C)C.
What is the InChIKey of N-(3-ethyl-5-methylhexa-1,5-dien-2-yl)-N',N'-dimethylethane-1,2-diamine?
The InChIKey is GPPQFZJVIVFEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-7-13(10-11(2)3)12(4)14-8-9-15(5)6/h13-14H,2,4,7-10H2,1,3,5-6H3.
What are the key properties of N-(3-ethyl-5-methylhexa-1,5-dien-2-yl)-N',N'-dimethylethane-1,2-diamine?
N-(3-ethyl-5-methylhexa-1,5-dien-2-yl)-N',N'-dimethylethane-1,2-diamine has a molecular weight of 210.36 g/mol, XLogP of 2.64, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-5-methylhexa-1,5-dien-2-yl)-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 130219694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).