(Z)-N-ethyl-N-methyl-2-(methyliminomethyl)hex-2-en-5-yn-1-amine

C11H18N2 — CID 144590273

IUPAC(Z)-N-ethyl-N-methyl-2-(methyliminomethyl)hex-2-en-5-yn-1-amine
SMILESC#CC/C=C(\C=N\C)CN(C)CC
InChIInChI=1S/C11H18N2/c1-5-7-8-11(9-12-3)10-13(4)6-2/h1,8-9H,6-7,10H2,2-4H3/b11-8+,12-9+
InChIKeyCDJCNZAEVMHTEX-HZOWPXDZSA-N
MW178.28 g/mol
LogP1.59
Rot. Bonds5

About (Z)-N-ethyl-N-methyl-2-(methyliminomethyl)hex-2-en-5-yn-1-amine

(Z)-N-ethyl-N-methyl-2-(methyliminomethyl)hex-2-en-5-yn-1-amine (PubChem CID 144590273) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is (Z)-N-ethyl-N-methyl-2-(methyliminomethyl)hex-2-en-5-yn-1-amine.

Molecular Properties

Compound Name(Z)-N-ethyl-N-methyl-2-(methyliminomethyl)hex-2-en-5-yn-1-amine
PubChem CID144590273
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name(Z)-N-ethyl-N-methyl-2-(methyliminomethyl)hex-2-en-5-yn-1-amine
SMILESC#CC/C=C(\C=N\C)CN(C)CC
InChIInChI=1S/C11H18N2/c1-5-7-8-11(9-12-3)10-13(4)6-2/h1,8-9H,6-7,10H2,2-4H3/b11-8+,12-9+
InChIKeyCDJCNZAEVMHTEX-HZOWPXDZSA-N
XLogP1.59
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-3-(2-methylpent-2-enylideneamino)propan-1-amine
CID 54544812
1-(2,3-dihydropyridin-5-yl)-N,N-dimethylmethanamine
CID 68216038
5-ethyl-9-methyl-3,4,6,7-tetrahydro-2H-1,5-diazecine
CID 90893148
Methyl-(3-methylhex-2-en-4-ynyl)-(3-methylpent-2-enylidene)azanium
CID 123328332
(Z)-N-methyl-2-[(4-methylpiperazin-1-yl)methyl]pent-2-en-1-imine;prop-1-yne
CID 145198326
N-ethyl-2-methyl-N-[2-(2H-pyrrol-4-yl)ethyl]propan-1-amine
CID 160761937

Frequently Asked Questions

What is the IUPAC name of (Z)-N-ethyl-N-methyl-2-(methyliminomethyl)hex-2-en-5-yn-1-amine?
The IUPAC name of (Z)-N-ethyl-N-methyl-2-(methyliminomethyl)hex-2-en-5-yn-1-amine (CID 144590273) is (Z)-N-ethyl-N-methyl-2-(methyliminomethyl)hex-2-en-5-yn-1-amine.
What is the SMILES notation for (Z)-N-ethyl-N-methyl-2-(methyliminomethyl)hex-2-en-5-yn-1-amine?
The canonical SMILES for (Z)-N-ethyl-N-methyl-2-(methyliminomethyl)hex-2-en-5-yn-1-amine is C#CC/C=C(\C=N\C)CN(C)CC.
What is the InChIKey of (Z)-N-ethyl-N-methyl-2-(methyliminomethyl)hex-2-en-5-yn-1-amine?
The InChIKey is CDJCNZAEVMHTEX-HZOWPXDZSA-N. The full InChI is InChI=1S/C11H18N2/c1-5-7-8-11(9-12-3)10-13(4)6-2/h1,8-9H,6-7,10H2,2-4H3/b11-8+,12-9+.
What are the key properties of (Z)-N-ethyl-N-methyl-2-(methyliminomethyl)hex-2-en-5-yn-1-amine?
(Z)-N-ethyl-N-methyl-2-(methyliminomethyl)hex-2-en-5-yn-1-amine has a molecular weight of 178.28 g/mol, XLogP of 1.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethyl-N-methyl-2-(methyliminomethyl)hex-2-en-5-yn-1-amine is sourced from PubChem (CID 144590273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).