N-ethyl-N'-methyl-N'-[(Z)-2-(methylideneamino)hex-2-enyl]ethane-1,2-diamine

C12H25N3 — CID 138716181

IUPACN-ethyl-N'-methyl-N'-[(Z)-2-(methylideneamino)hex-2-enyl]ethane-1,2-diamine
SMILESC=N/C(=C\CCC)CN(C)CCNCC
InChIInChI=1S/C12H25N3/c1-5-7-8-12(13-3)11-15(4)10-9-14-6-2/h8,14H,3,5-7,9-11H2,1-2,4H3/b12-8-
InChIKeyWFJYTQCKYSGGKY-WQLSENKSSA-N
MW211.35 g/mol
LogP1.91
Rot. Bonds9

About N-ethyl-N'-methyl-N'-[(Z)-2-(methylideneamino)hex-2-enyl]ethane-1,2-diamine

N-ethyl-N'-methyl-N'-[(Z)-2-(methylideneamino)hex-2-enyl]ethane-1,2-diamine (PubChem CID 138716181) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is N-ethyl-N'-methyl-N'-[(Z)-2-(methylideneamino)hex-2-enyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-N'-methyl-N'-[(Z)-2-(methylideneamino)hex-2-enyl]ethane-1,2-diamine
PubChem CID138716181
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC NameN-ethyl-N'-methyl-N'-[(Z)-2-(methylideneamino)hex-2-enyl]ethane-1,2-diamine
SMILESC=N/C(=C\CCC)CN(C)CCNCC
InChIInChI=1S/C12H25N3/c1-5-7-8-12(13-3)11-15(4)10-9-14-6-2/h8,14H,3,5-7,9-11H2,1-2,4H3/b12-8-
InChIKeyWFJYTQCKYSGGKY-WQLSENKSSA-N
XLogP1.91
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-methyl-N'-[(Z)-2-(methylideneamino)hex-2-enyl]ethane-1,2-diamine?
The IUPAC name of N-ethyl-N'-methyl-N'-[(Z)-2-(methylideneamino)hex-2-enyl]ethane-1,2-diamine (CID 138716181) is N-ethyl-N'-methyl-N'-[(Z)-2-(methylideneamino)hex-2-enyl]ethane-1,2-diamine.
What is the SMILES notation for N-ethyl-N'-methyl-N'-[(Z)-2-(methylideneamino)hex-2-enyl]ethane-1,2-diamine?
The canonical SMILES for N-ethyl-N'-methyl-N'-[(Z)-2-(methylideneamino)hex-2-enyl]ethane-1,2-diamine is C=N/C(=C\CCC)CN(C)CCNCC.
What is the InChIKey of N-ethyl-N'-methyl-N'-[(Z)-2-(methylideneamino)hex-2-enyl]ethane-1,2-diamine?
The InChIKey is WFJYTQCKYSGGKY-WQLSENKSSA-N. The full InChI is InChI=1S/C12H25N3/c1-5-7-8-12(13-3)11-15(4)10-9-14-6-2/h8,14H,3,5-7,9-11H2,1-2,4H3/b12-8-.
What are the key properties of N-ethyl-N'-methyl-N'-[(Z)-2-(methylideneamino)hex-2-enyl]ethane-1,2-diamine?
N-ethyl-N'-methyl-N'-[(Z)-2-(methylideneamino)hex-2-enyl]ethane-1,2-diamine has a molecular weight of 211.35 g/mol, XLogP of 1.91, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-methyl-N'-[(Z)-2-(methylideneamino)hex-2-enyl]ethane-1,2-diamine is sourced from PubChem (CID 138716181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).