(Z,3E)-N'-ethyl-N'-[2-(methylamino)ethyl]-3-prop-2-enylidenebut-1-ene-1,4-diamine

C12H23N3 — CID 89215537

IUPAC(Z,3E)-N'-ethyl-N'-[2-(methylamino)ethyl]-3-prop-2-enylidenebut-1-ene-1,4-diamine
SMILESC=C/C=C(\C=C/N)CN(CC)CCNC
InChIInChI=1S/C12H23N3/c1-4-6-12(7-8-13)11-15(5-2)10-9-14-3/h4,6-8,14H,1,5,9-11,13H2,2-3H3/b8-7-,12-6+
InChIKeyRKSUTVKQKMQQFI-HRZQEMGZSA-N
MW209.34 g/mol
LogP1.11
Rot. Bonds8

About (Z,3E)-N'-ethyl-N'-[2-(methylamino)ethyl]-3-prop-2-enylidenebut-1-ene-1,4-diamine

(Z,3E)-N'-ethyl-N'-[2-(methylamino)ethyl]-3-prop-2-enylidenebut-1-ene-1,4-diamine (PubChem CID 89215537) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is (Z,3E)-N'-ethyl-N'-[2-(methylamino)ethyl]-3-prop-2-enylidenebut-1-ene-1,4-diamine.

Molecular Properties

Compound Name(Z,3E)-N'-ethyl-N'-[2-(methylamino)ethyl]-3-prop-2-enylidenebut-1-ene-1,4-diamine
PubChem CID89215537
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name(Z,3E)-N'-ethyl-N'-[2-(methylamino)ethyl]-3-prop-2-enylidenebut-1-ene-1,4-diamine
SMILESC=C/C=C(\C=C/N)CN(CC)CCNC
InChIInChI=1S/C12H23N3/c1-4-6-12(7-8-13)11-15(5-2)10-9-14-3/h4,6-8,14H,1,5,9-11,13H2,2-3H3/b8-7-,12-6+
InChIKeyRKSUTVKQKMQQFI-HRZQEMGZSA-N
XLogP1.11
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N',N'-diethyl-N-methylethane-1,2-diamine;ethane
CID 142004273
ethane;2-[ethyl-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]amino]acetic acid
CID 143432503
2-[ethyl-[2-(methylamino)ethyl]amino]ethanol;formaldehyde
CID 143070492
N'-ethyl-N-methyl-N'-propylethane-1,2-diamine
CID 21015837
N'-ethyl-N-methyl-N'-[2-(methylamino)ethyl]propane-1,3-diamine
CID 142226092
(2E,3Z)-N-ethyl-2-ethylidene-N-propylhexa-3,5-dien-1-amine;propane
CID 144845989
tert-butyl 2-[ethyl-[2-(methylamino)ethyl]amino]acetate
CID 123348622
(3Z,5Z)-4-ethyl-7-fluorohepta-1,3,5-triene;N-methylethanamine
CID 143750157
N'-[(3E)-3-chlorohexa-1,3,5-trien-2-yl]-N,N'-dimethylethane-1,2-diamine
CID 142349508
ethane;N'-ethyl-N,N'-dimethylethane-1,2-diamine;methanol
CID 144534922
N'-[(2E,4E)-5-bromohexa-2,4-dien-2-yl]-N,N'-dimethylethane-1,2-diamine;ethane
CID 145385176
ethane;N'-ethyl-N,N'-dimethylethane-1,2-diamine
CID 142870975

Frequently Asked Questions

What is the IUPAC name of (Z,3E)-N'-ethyl-N'-[2-(methylamino)ethyl]-3-prop-2-enylidenebut-1-ene-1,4-diamine?
The IUPAC name of (Z,3E)-N'-ethyl-N'-[2-(methylamino)ethyl]-3-prop-2-enylidenebut-1-ene-1,4-diamine (CID 89215537) is (Z,3E)-N'-ethyl-N'-[2-(methylamino)ethyl]-3-prop-2-enylidenebut-1-ene-1,4-diamine.
What is the SMILES notation for (Z,3E)-N'-ethyl-N'-[2-(methylamino)ethyl]-3-prop-2-enylidenebut-1-ene-1,4-diamine?
The canonical SMILES for (Z,3E)-N'-ethyl-N'-[2-(methylamino)ethyl]-3-prop-2-enylidenebut-1-ene-1,4-diamine is C=C/C=C(\C=C/N)CN(CC)CCNC.
What is the InChIKey of (Z,3E)-N'-ethyl-N'-[2-(methylamino)ethyl]-3-prop-2-enylidenebut-1-ene-1,4-diamine?
The InChIKey is RKSUTVKQKMQQFI-HRZQEMGZSA-N. The full InChI is InChI=1S/C12H23N3/c1-4-6-12(7-8-13)11-15(5-2)10-9-14-3/h4,6-8,14H,1,5,9-11,13H2,2-3H3/b8-7-,12-6+.
What are the key properties of (Z,3E)-N'-ethyl-N'-[2-(methylamino)ethyl]-3-prop-2-enylidenebut-1-ene-1,4-diamine?
(Z,3E)-N'-ethyl-N'-[2-(methylamino)ethyl]-3-prop-2-enylidenebut-1-ene-1,4-diamine has a molecular weight of 209.34 g/mol, XLogP of 1.11, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3E)-N'-ethyl-N'-[2-(methylamino)ethyl]-3-prop-2-enylidenebut-1-ene-1,4-diamine is sourced from PubChem (CID 89215537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).