(Z)-N-methyl-N-[1-(methylideneamino)ethyl]but-2-en-2-amine

C8H16N2 — CID 139472691

IUPAC(Z)-N-methyl-N-[1-(methylideneamino)ethyl]but-2-en-2-amine
SMILESC=NC(C)N(C)/C(C)=C\C
InChIInChI=1S/C8H16N2/c1-6-7(2)10(5)8(3)9-4/h6,8H,4H2,1-3,5H3/b7-6-
InChIKeyPEPNPIZJNYPZBG-SREVYHEPSA-N
MW140.23 g/mol
LogP1.89
Rot. Bonds3

About (Z)-N-methyl-N-[1-(methylideneamino)ethyl]but-2-en-2-amine

(Z)-N-methyl-N-[1-(methylideneamino)ethyl]but-2-en-2-amine (PubChem CID 139472691) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is (Z)-N-methyl-N-[1-(methylideneamino)ethyl]but-2-en-2-amine.

Molecular Properties

Compound Name(Z)-N-methyl-N-[1-(methylideneamino)ethyl]but-2-en-2-amine
PubChem CID139472691
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name(Z)-N-methyl-N-[1-(methylideneamino)ethyl]but-2-en-2-amine
SMILESC=NC(C)N(C)/C(C)=C\C
InChIInChI=1S/C8H16N2/c1-6-7(2)10(5)8(3)9-4/h6,8H,4H2,1-3,5H3/b7-6-
InChIKeyPEPNPIZJNYPZBG-SREVYHEPSA-N
XLogP1.89
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-methyl-N-[1-(methylideneamino)ethyl]but-2-en-2-amine?
The IUPAC name of (Z)-N-methyl-N-[1-(methylideneamino)ethyl]but-2-en-2-amine (CID 139472691) is (Z)-N-methyl-N-[1-(methylideneamino)ethyl]but-2-en-2-amine.
What is the SMILES notation for (Z)-N-methyl-N-[1-(methylideneamino)ethyl]but-2-en-2-amine?
The canonical SMILES for (Z)-N-methyl-N-[1-(methylideneamino)ethyl]but-2-en-2-amine is C=NC(C)N(C)/C(C)=C\C.
What is the InChIKey of (Z)-N-methyl-N-[1-(methylideneamino)ethyl]but-2-en-2-amine?
The InChIKey is PEPNPIZJNYPZBG-SREVYHEPSA-N. The full InChI is InChI=1S/C8H16N2/c1-6-7(2)10(5)8(3)9-4/h6,8H,4H2,1-3,5H3/b7-6-.
What are the key properties of (Z)-N-methyl-N-[1-(methylideneamino)ethyl]but-2-en-2-amine?
(Z)-N-methyl-N-[1-(methylideneamino)ethyl]but-2-en-2-amine has a molecular weight of 140.23 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-N-[1-(methylideneamino)ethyl]but-2-en-2-amine is sourced from PubChem (CID 139472691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).