(Z)-N'-methyl-N'-[1-(methylamino)ethenyl]but-1-ene-1,4-diamine

C8H17N3 — CID 89165147

IUPAC(Z)-N'-methyl-N'-[1-(methylamino)ethenyl]but-1-ene-1,4-diamine
SMILESC=C(NC)N(C)CC/C=C\N
InChIInChI=1S/C8H17N3/c1-8(10-2)11(3)7-5-4-6-9/h4,6,10H,1,5,7,9H2,2-3H3/b6-4-
InChIKeyARCYDXFMXRAIOT-XQRVVYSFSA-N
MW155.25 g/mol
LogP0.47
Rot. Bonds5

About (Z)-N'-methyl-N'-[1-(methylamino)ethenyl]but-1-ene-1,4-diamine

(Z)-N'-methyl-N'-[1-(methylamino)ethenyl]but-1-ene-1,4-diamine (PubChem CID 89165147) has the molecular formula C8H17N3 and a molecular weight of 155.25 g/mol. Its IUPAC name is (Z)-N'-methyl-N'-[1-(methylamino)ethenyl]but-1-ene-1,4-diamine.

Molecular Properties

Compound Name(Z)-N'-methyl-N'-[1-(methylamino)ethenyl]but-1-ene-1,4-diamine
PubChem CID89165147
Molecular FormulaC8H17N3
Molecular Weight155.25 g/mol
Exact Mass155.14
IUPAC Name(Z)-N'-methyl-N'-[1-(methylamino)ethenyl]but-1-ene-1,4-diamine
SMILESC=C(NC)N(C)CC/C=C\N
InChIInChI=1S/C8H17N3/c1-8(10-2)11(3)7-5-4-6-9/h4,6,10H,1,5,7,9H2,2-3H3/b6-4-
InChIKeyARCYDXFMXRAIOT-XQRVVYSFSA-N
XLogP0.47
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.25
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (Z)-N'-methyl-N'-[1-(methylamino)ethenyl]but-1-ene-1,4-diamine?
The IUPAC name of (Z)-N'-methyl-N'-[1-(methylamino)ethenyl]but-1-ene-1,4-diamine (CID 89165147) is (Z)-N'-methyl-N'-[1-(methylamino)ethenyl]but-1-ene-1,4-diamine.
What is the SMILES notation for (Z)-N'-methyl-N'-[1-(methylamino)ethenyl]but-1-ene-1,4-diamine?
The canonical SMILES for (Z)-N'-methyl-N'-[1-(methylamino)ethenyl]but-1-ene-1,4-diamine is C=C(NC)N(C)CC/C=C\N.
What is the InChIKey of (Z)-N'-methyl-N'-[1-(methylamino)ethenyl]but-1-ene-1,4-diamine?
The InChIKey is ARCYDXFMXRAIOT-XQRVVYSFSA-N. The full InChI is InChI=1S/C8H17N3/c1-8(10-2)11(3)7-5-4-6-9/h4,6,10H,1,5,7,9H2,2-3H3/b6-4-.
What are the key properties of (Z)-N'-methyl-N'-[1-(methylamino)ethenyl]but-1-ene-1,4-diamine?
(Z)-N'-methyl-N'-[1-(methylamino)ethenyl]but-1-ene-1,4-diamine has a molecular weight of 155.25 g/mol, XLogP of 0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N'-methyl-N'-[1-(methylamino)ethenyl]but-1-ene-1,4-diamine is sourced from PubChem (CID 89165147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).