(2E,4E)-1-N-ethyl-1-N-methyl-2-prop-1-en-2-ylhexa-2,4-diene-1,4-diamine

C12H22N2 — CID 121388695

IUPAC(2E,4E)-1-N-ethyl-1-N-methyl-2-prop-1-en-2-ylhexa-2,4-diene-1,4-diamine
SMILESC=C(C)/C(=C\C(N)=C/C)CN(C)CC
InChIInChI=1S/C12H22N2/c1-6-12(13)8-11(10(3)4)9-14(5)7-2/h6,8H,3,7,9,13H2,1-2,4-5H3/b11-8-,12-6-
InChIKeyQDGHCDJACZJRKE-JQPTUTRNSA-N
MW194.32 g/mol
LogP2.30
Rot. Bonds5

About (2E,4E)-1-N-ethyl-1-N-methyl-2-prop-1-en-2-ylhexa-2,4-diene-1,4-diamine

(2E,4E)-1-N-ethyl-1-N-methyl-2-prop-1-en-2-ylhexa-2,4-diene-1,4-diamine (PubChem CID 121388695) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is (2E,4E)-1-N-ethyl-1-N-methyl-2-prop-1-en-2-ylhexa-2,4-diene-1,4-diamine.

Molecular Properties

Compound Name(2E,4E)-1-N-ethyl-1-N-methyl-2-prop-1-en-2-ylhexa-2,4-diene-1,4-diamine
PubChem CID121388695
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name(2E,4E)-1-N-ethyl-1-N-methyl-2-prop-1-en-2-ylhexa-2,4-diene-1,4-diamine
SMILESC=C(C)/C(=C\C(N)=C/C)CN(C)CC
InChIInChI=1S/C12H22N2/c1-6-12(13)8-11(10(3)4)9-14(5)7-2/h6,8H,3,7,9,13H2,1-2,4-5H3/b11-8-,12-6-
InChIKeyQDGHCDJACZJRKE-JQPTUTRNSA-N
XLogP2.30
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-1-N-ethyl-1-N-methyl-2-prop-1-en-2-ylhexa-2,4-diene-1,4-diamine?
The IUPAC name of (2E,4E)-1-N-ethyl-1-N-methyl-2-prop-1-en-2-ylhexa-2,4-diene-1,4-diamine (CID 121388695) is (2E,4E)-1-N-ethyl-1-N-methyl-2-prop-1-en-2-ylhexa-2,4-diene-1,4-diamine.
What is the SMILES notation for (2E,4E)-1-N-ethyl-1-N-methyl-2-prop-1-en-2-ylhexa-2,4-diene-1,4-diamine?
The canonical SMILES for (2E,4E)-1-N-ethyl-1-N-methyl-2-prop-1-en-2-ylhexa-2,4-diene-1,4-diamine is C=C(C)/C(=C\C(N)=C/C)CN(C)CC.
What is the InChIKey of (2E,4E)-1-N-ethyl-1-N-methyl-2-prop-1-en-2-ylhexa-2,4-diene-1,4-diamine?
The InChIKey is QDGHCDJACZJRKE-JQPTUTRNSA-N. The full InChI is InChI=1S/C12H22N2/c1-6-12(13)8-11(10(3)4)9-14(5)7-2/h6,8H,3,7,9,13H2,1-2,4-5H3/b11-8-,12-6-.
What are the key properties of (2E,4E)-1-N-ethyl-1-N-methyl-2-prop-1-en-2-ylhexa-2,4-diene-1,4-diamine?
(2E,4E)-1-N-ethyl-1-N-methyl-2-prop-1-en-2-ylhexa-2,4-diene-1,4-diamine has a molecular weight of 194.32 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-1-N-ethyl-1-N-methyl-2-prop-1-en-2-ylhexa-2,4-diene-1,4-diamine is sourced from PubChem (CID 121388695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).