(Z)-N-ethyl-2-methylidene-4-(methyliminomethyl)-3-[(Z)-prop-1-enyl]hex-3-en-1-amine

C14H24N2 — CID 145468181

IUPAC(Z)-N-ethyl-2-methylidene-4-(methyliminomethyl)-3-[(Z)-prop-1-enyl]hex-3-en-1-amine
SMILESC=C(CNCC)C(/C=C\C)=C(\C=N\C)CC
InChIInChI=1S/C14H24N2/c1-6-9-14(12(4)10-16-8-3)13(7-2)11-15-5/h6,9,11,16H,4,7-8,10H2,1-3,5H3/b9-6-,14-13-,15-11+
InChIKeyIDZIQYJIQZCKHK-USQACLRTSA-N
MW220.36 g/mol
LogP3.14
Rot. Bonds7

About (Z)-N-ethyl-2-methylidene-4-(methyliminomethyl)-3-[(Z)-prop-1-enyl]hex-3-en-1-amine

(Z)-N-ethyl-2-methylidene-4-(methyliminomethyl)-3-[(Z)-prop-1-enyl]hex-3-en-1-amine (PubChem CID 145468181) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is (Z)-N-ethyl-2-methylidene-4-(methyliminomethyl)-3-[(Z)-prop-1-enyl]hex-3-en-1-amine.

Molecular Properties

Compound Name(Z)-N-ethyl-2-methylidene-4-(methyliminomethyl)-3-[(Z)-prop-1-enyl]hex-3-en-1-amine
PubChem CID145468181
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name(Z)-N-ethyl-2-methylidene-4-(methyliminomethyl)-3-[(Z)-prop-1-enyl]hex-3-en-1-amine
SMILESC=C(CNCC)C(/C=C\C)=C(\C=N\C)CC
InChIInChI=1S/C14H24N2/c1-6-9-14(12(4)10-16-8-3)13(7-2)11-15-5/h6,9,11,16H,4,7-8,10H2,1-3,5H3/b9-6-,14-13-,15-11+
InChIKeyIDZIQYJIQZCKHK-USQACLRTSA-N
XLogP3.14
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.14
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 (Z)-N-ethyl-2-methylidene-4-(methyliminomethyl)-3-[(Z)-prop-1-enyl]hex-3-en-1-amine?
The IUPAC name of (Z)-N-ethyl-2-methylidene-4-(methyliminomethyl)-3-[(Z)-prop-1-enyl]hex-3-en-1-amine (CID 145468181) is (Z)-N-ethyl-2-methylidene-4-(methyliminomethyl)-3-[(Z)-prop-1-enyl]hex-3-en-1-amine.
What is the SMILES notation for (Z)-N-ethyl-2-methylidene-4-(methyliminomethyl)-3-[(Z)-prop-1-enyl]hex-3-en-1-amine?
The canonical SMILES for (Z)-N-ethyl-2-methylidene-4-(methyliminomethyl)-3-[(Z)-prop-1-enyl]hex-3-en-1-amine is C=C(CNCC)C(/C=C\C)=C(\C=N\C)CC.
What is the InChIKey of (Z)-N-ethyl-2-methylidene-4-(methyliminomethyl)-3-[(Z)-prop-1-enyl]hex-3-en-1-amine?
The InChIKey is IDZIQYJIQZCKHK-USQACLRTSA-N. The full InChI is InChI=1S/C14H24N2/c1-6-9-14(12(4)10-16-8-3)13(7-2)11-15-5/h6,9,11,16H,4,7-8,10H2,1-3,5H3/b9-6-,14-13-,15-11+.
What are the key properties of (Z)-N-ethyl-2-methylidene-4-(methyliminomethyl)-3-[(Z)-prop-1-enyl]hex-3-en-1-amine?
(Z)-N-ethyl-2-methylidene-4-(methyliminomethyl)-3-[(Z)-prop-1-enyl]hex-3-en-1-amine has a molecular weight of 220.36 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethyl-2-methylidene-4-(methyliminomethyl)-3-[(Z)-prop-1-enyl]hex-3-en-1-amine is sourced from PubChem (CID 145468181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).