(Z)-N-[2-[2-(methylamino)ethoxy]ethyl]-2-(methylideneamino)prop-1-en-1-amine

C9H19N3O — CID 130256263

IUPAC(Z)-N-[2-[2-(methylamino)ethoxy]ethyl]-2-(methylideneamino)prop-1-en-1-amine
SMILESC=N/C(C)=C\NCCOCCNC
InChIInChI=1S/C9H19N3O/c1-9(11-3)8-12-5-7-13-6-4-10-2/h8,10,12H,3-7H2,1-2H3/b9-8-
InChIKeyMBBPWPKBXJXOHC-HJWRWDBZSA-N
MW185.27 g/mol
LogP0.37
Rot. Bonds8

About (Z)-N-[2-[2-(methylamino)ethoxy]ethyl]-2-(methylideneamino)prop-1-en-1-amine

(Z)-N-[2-[2-(methylamino)ethoxy]ethyl]-2-(methylideneamino)prop-1-en-1-amine (PubChem CID 130256263) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is (Z)-N-[2-[2-(methylamino)ethoxy]ethyl]-2-(methylideneamino)prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-N-[2-[2-(methylamino)ethoxy]ethyl]-2-(methylideneamino)prop-1-en-1-amine
PubChem CID130256263
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name(Z)-N-[2-[2-(methylamino)ethoxy]ethyl]-2-(methylideneamino)prop-1-en-1-amine
SMILESC=N/C(C)=C\NCCOCCNC
InChIInChI=1S/C9H19N3O/c1-9(11-3)8-12-5-7-13-6-4-10-2/h8,10,12H,3-7H2,1-2H3/b9-8-
InChIKeyMBBPWPKBXJXOHC-HJWRWDBZSA-N
XLogP0.37
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-[2-[2-(methylamino)ethoxy]ethyl]-2-(methylideneamino)prop-1-en-1-amine?
The IUPAC name of (Z)-N-[2-[2-(methylamino)ethoxy]ethyl]-2-(methylideneamino)prop-1-en-1-amine (CID 130256263) is (Z)-N-[2-[2-(methylamino)ethoxy]ethyl]-2-(methylideneamino)prop-1-en-1-amine.
What is the SMILES notation for (Z)-N-[2-[2-(methylamino)ethoxy]ethyl]-2-(methylideneamino)prop-1-en-1-amine?
The canonical SMILES for (Z)-N-[2-[2-(methylamino)ethoxy]ethyl]-2-(methylideneamino)prop-1-en-1-amine is C=N/C(C)=C\NCCOCCNC.
What is the InChIKey of (Z)-N-[2-[2-(methylamino)ethoxy]ethyl]-2-(methylideneamino)prop-1-en-1-amine?
The InChIKey is MBBPWPKBXJXOHC-HJWRWDBZSA-N. The full InChI is InChI=1S/C9H19N3O/c1-9(11-3)8-12-5-7-13-6-4-10-2/h8,10,12H,3-7H2,1-2H3/b9-8-.
What are the key properties of (Z)-N-[2-[2-(methylamino)ethoxy]ethyl]-2-(methylideneamino)prop-1-en-1-amine?
(Z)-N-[2-[2-(methylamino)ethoxy]ethyl]-2-(methylideneamino)prop-1-en-1-amine has a molecular weight of 185.27 g/mol, XLogP of 0.37, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[2-[2-(methylamino)ethoxy]ethyl]-2-(methylideneamino)prop-1-en-1-amine is sourced from PubChem (CID 130256263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).