N'-ethyl-N'-[(2E)-2-[(prop-2-enylideneamino)methylidene]butyl]ethane-1,2-diamine

C12H23N3 — CID 166120620

IUPACN'-ethyl-N'-[(2E)-2-[(prop-2-enylideneamino)methylidene]butyl]ethane-1,2-diamine
SMILESC=C/C=N/C=C(\CC)CN(CC)CCN
InChIInChI=1S/C12H23N3/c1-4-8-14-10-12(5-2)11-15(6-3)9-7-13/h4,8,10H,1,5-7,9,11,13H2,2-3H3/b12-10+,14-8+
InChIKeyBXAVTLUIPXMLPV-HVGKERHYSA-N
MW209.34 g/mol
LogP1.82
Rot. Bonds8

About N'-ethyl-N'-[(2E)-2-[(prop-2-enylideneamino)methylidene]butyl]ethane-1,2-diamine

N'-ethyl-N'-[(2E)-2-[(prop-2-enylideneamino)methylidene]butyl]ethane-1,2-diamine (PubChem CID 166120620) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is N'-ethyl-N'-[(2E)-2-[(prop-2-enylideneamino)methylidene]butyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-[(2E)-2-[(prop-2-enylideneamino)methylidene]butyl]ethane-1,2-diamine
PubChem CID166120620
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC NameN'-ethyl-N'-[(2E)-2-[(prop-2-enylideneamino)methylidene]butyl]ethane-1,2-diamine
SMILESC=C/C=N/C=C(\CC)CN(CC)CCN
InChIInChI=1S/C12H23N3/c1-4-8-14-10-12(5-2)11-15(6-3)9-7-13/h4,8,10H,1,5-7,9,11,13H2,2-3H3/b12-10+,14-8+
InChIKeyBXAVTLUIPXMLPV-HVGKERHYSA-N
XLogP1.82
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-[(2E)-2-[(prop-2-enylideneamino)methylidene]butyl]ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-[(2E)-2-[(prop-2-enylideneamino)methylidene]butyl]ethane-1,2-diamine (CID 166120620) is N'-ethyl-N'-[(2E)-2-[(prop-2-enylideneamino)methylidene]butyl]ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-[(2E)-2-[(prop-2-enylideneamino)methylidene]butyl]ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-[(2E)-2-[(prop-2-enylideneamino)methylidene]butyl]ethane-1,2-diamine is C=C/C=N/C=C(\CC)CN(CC)CCN.
What is the InChIKey of N'-ethyl-N'-[(2E)-2-[(prop-2-enylideneamino)methylidene]butyl]ethane-1,2-diamine?
The InChIKey is BXAVTLUIPXMLPV-HVGKERHYSA-N. The full InChI is InChI=1S/C12H23N3/c1-4-8-14-10-12(5-2)11-15(6-3)9-7-13/h4,8,10H,1,5-7,9,11,13H2,2-3H3/b12-10+,14-8+.
What are the key properties of N'-ethyl-N'-[(2E)-2-[(prop-2-enylideneamino)methylidene]butyl]ethane-1,2-diamine?
N'-ethyl-N'-[(2E)-2-[(prop-2-enylideneamino)methylidene]butyl]ethane-1,2-diamine has a molecular weight of 209.34 g/mol, XLogP of 1.82, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-[(2E)-2-[(prop-2-enylideneamino)methylidene]butyl]ethane-1,2-diamine is sourced from PubChem (CID 166120620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).