N'-[(Z,2E)-2-ethylidenehex-3-enyl]-N-(3-methoxypropyl)-N,N'-dimethylethane-1,2-diamine

C16H32N2O — CID 143123502

IUPACN'-[(Z,2E)-2-ethylidenehex-3-enyl]-N-(3-methoxypropyl)-N,N'-dimethylethane-1,2-diamine
SMILESC/C=C(\C=C/CC)CN(C)CCN(C)CCCOC
InChIInChI=1S/C16H32N2O/c1-6-8-10-16(7-2)15-18(4)13-12-17(3)11-9-14-19-5/h7-8,10H,6,9,11-15H2,1-5H3/b10-8-,16-7+
InChIKeyRDKOEYMFJMUEFW-XHYHITDASA-N
MW268.44 g/mol
LogP2.80
Rot. Bonds11

About N'-[(Z,2E)-2-ethylidenehex-3-enyl]-N-(3-methoxypropyl)-N,N'-dimethylethane-1,2-diamine

N'-[(Z,2E)-2-ethylidenehex-3-enyl]-N-(3-methoxypropyl)-N,N'-dimethylethane-1,2-diamine (PubChem CID 143123502) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N'-[(Z,2E)-2-ethylidenehex-3-enyl]-N-(3-methoxypropyl)-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(Z,2E)-2-ethylidenehex-3-enyl]-N-(3-methoxypropyl)-N,N'-dimethylethane-1,2-diamine
PubChem CID143123502
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN'-[(Z,2E)-2-ethylidenehex-3-enyl]-N-(3-methoxypropyl)-N,N'-dimethylethane-1,2-diamine
SMILESC/C=C(\C=C/CC)CN(C)CCN(C)CCCOC
InChIInChI=1S/C16H32N2O/c1-6-8-10-16(7-2)15-18(4)13-12-17(3)11-9-14-19-5/h7-8,10H,6,9,11-15H2,1-5H3/b10-8-,16-7+
InChIKeyRDKOEYMFJMUEFW-XHYHITDASA-N
XLogP2.80
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;(2E,4E)-N-ethyl-N-methyl-2-[(E)-prop-1-enyl]hexa-2,4-dien-1-amine;methoxyethane
CID 143996936
ethane;N-(3-methoxypropyl)-N,N'-dimethyl-N'-[(2E,4Z)-5-methylhepta-2,4-dien-2-yl]ethane-1,2-diamine
CID 171071699
N-(3-methoxypropyl)-N,N'-dimethyl-N'-[(2E,4Z)-5-methylhepta-2,4-dien-2-yl]ethane-1,2-diamine
CID 171071700

Frequently Asked Questions

What is the IUPAC name of N'-[(Z,2E)-2-ethylidenehex-3-enyl]-N-(3-methoxypropyl)-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-[(Z,2E)-2-ethylidenehex-3-enyl]-N-(3-methoxypropyl)-N,N'-dimethylethane-1,2-diamine (CID 143123502) is N'-[(Z,2E)-2-ethylidenehex-3-enyl]-N-(3-methoxypropyl)-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-[(Z,2E)-2-ethylidenehex-3-enyl]-N-(3-methoxypropyl)-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-[(Z,2E)-2-ethylidenehex-3-enyl]-N-(3-methoxypropyl)-N,N'-dimethylethane-1,2-diamine is C/C=C(\C=C/CC)CN(C)CCN(C)CCCOC.
What is the InChIKey of N'-[(Z,2E)-2-ethylidenehex-3-enyl]-N-(3-methoxypropyl)-N,N'-dimethylethane-1,2-diamine?
The InChIKey is RDKOEYMFJMUEFW-XHYHITDASA-N. The full InChI is InChI=1S/C16H32N2O/c1-6-8-10-16(7-2)15-18(4)13-12-17(3)11-9-14-19-5/h7-8,10H,6,9,11-15H2,1-5H3/b10-8-,16-7+.
What are the key properties of N'-[(Z,2E)-2-ethylidenehex-3-enyl]-N-(3-methoxypropyl)-N,N'-dimethylethane-1,2-diamine?
N'-[(Z,2E)-2-ethylidenehex-3-enyl]-N-(3-methoxypropyl)-N,N'-dimethylethane-1,2-diamine has a molecular weight of 268.44 g/mol, XLogP of 2.80, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z,2E)-2-ethylidenehex-3-enyl]-N-(3-methoxypropyl)-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 143123502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).