ethane;(1Z,3Z)-1-[(Z)-ethylideneamino]-N-methyl-2-prop-1-en-2-ylhexa-1,3,5-trien-1-amine

C14H24N2 — CID 145017874

IUPACethane;(1Z,3Z)-1-[(Z)-ethylideneamino]-N-methyl-2-prop-1-en-2-ylhexa-1,3,5-trien-1-amine
SMILESC=C/C=C\C(C(=C)C)=C(\N=C/C)NC.CC
InChIInChI=1S/C12H18N2.C2H6/c1-6-8-9-11(10(3)4)12(13-5)14-7-2;1-2/h6-9,13H,1,3H2,2,4-5H3;1-2H3/b9-8-,12-11-,14-7-;
InChIKeyATPRQZMVWSYQTD-NBOUBHOZSA-N
MW220.36 g/mol
LogP3.85
Rot. Bonds5

About ethane;(1Z,3Z)-1-[(Z)-ethylideneamino]-N-methyl-2-prop-1-en-2-ylhexa-1,3,5-trien-1-amine

ethane;(1Z,3Z)-1-[(Z)-ethylideneamino]-N-methyl-2-prop-1-en-2-ylhexa-1,3,5-trien-1-amine (PubChem CID 145017874) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is ethane;(1Z,3Z)-1-[(Z)-ethylideneamino]-N-methyl-2-prop-1-en-2-ylhexa-1,3,5-trien-1-amine.

Molecular Properties

Compound Nameethane;(1Z,3Z)-1-[(Z)-ethylideneamino]-N-methyl-2-prop-1-en-2-ylhexa-1,3,5-trien-1-amine
PubChem CID145017874
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Nameethane;(1Z,3Z)-1-[(Z)-ethylideneamino]-N-methyl-2-prop-1-en-2-ylhexa-1,3,5-trien-1-amine
SMILESC=C/C=C\C(C(=C)C)=C(\N=C/C)NC.CC
InChIInChI=1S/C12H18N2.C2H6/c1-6-8-9-11(10(3)4)12(13-5)14-7-2;1-2/h6-9,13H,1,3H2,2,4-5H3;1-2H3/b9-8-,12-11-,14-7-;
InChIKeyATPRQZMVWSYQTD-NBOUBHOZSA-N
XLogP3.85
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;(1Z,3Z)-1-[(Z)-ethylideneamino]-N-methyl-2-prop-1-en-2-ylhexa-1,3,5-trien-1-amine?
The IUPAC name of ethane;(1Z,3Z)-1-[(Z)-ethylideneamino]-N-methyl-2-prop-1-en-2-ylhexa-1,3,5-trien-1-amine (CID 145017874) is ethane;(1Z,3Z)-1-[(Z)-ethylideneamino]-N-methyl-2-prop-1-en-2-ylhexa-1,3,5-trien-1-amine.
What is the SMILES notation for ethane;(1Z,3Z)-1-[(Z)-ethylideneamino]-N-methyl-2-prop-1-en-2-ylhexa-1,3,5-trien-1-amine?
The canonical SMILES for ethane;(1Z,3Z)-1-[(Z)-ethylideneamino]-N-methyl-2-prop-1-en-2-ylhexa-1,3,5-trien-1-amine is C=C/C=C\C(C(=C)C)=C(\N=C/C)NC.CC.
What is the InChIKey of ethane;(1Z,3Z)-1-[(Z)-ethylideneamino]-N-methyl-2-prop-1-en-2-ylhexa-1,3,5-trien-1-amine?
The InChIKey is ATPRQZMVWSYQTD-NBOUBHOZSA-N. The full InChI is InChI=1S/C12H18N2.C2H6/c1-6-8-9-11(10(3)4)12(13-5)14-7-2;1-2/h6-9,13H,1,3H2,2,4-5H3;1-2H3/b9-8-,12-11-,14-7-;.
What are the key properties of ethane;(1Z,3Z)-1-[(Z)-ethylideneamino]-N-methyl-2-prop-1-en-2-ylhexa-1,3,5-trien-1-amine?
ethane;(1Z,3Z)-1-[(Z)-ethylideneamino]-N-methyl-2-prop-1-en-2-ylhexa-1,3,5-trien-1-amine has a molecular weight of 220.36 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(1Z,3Z)-1-[(Z)-ethylideneamino]-N-methyl-2-prop-1-en-2-ylhexa-1,3,5-trien-1-amine is sourced from PubChem (CID 145017874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).