(Z)-N-ethyl-N,3-dimethyl-2-(methylideneamino)but-1-en-1-amine

C9H18N2 — CID 146666182

IUPAC(Z)-N-ethyl-N,3-dimethyl-2-(methylideneamino)but-1-en-1-amine
SMILESC=N/C(=C\N(C)CC)C(C)C
InChIInChI=1S/C9H18N2/c1-6-11(5)7-9(10-4)8(2)3/h7-8H,4,6H2,1-3,5H3/b9-7-
InChIKeyRWEDSAAENZGSMO-CLFYSBASSA-N
MW154.26 g/mol
LogP2.14
Rot. Bonds4

About (Z)-N-ethyl-N,3-dimethyl-2-(methylideneamino)but-1-en-1-amine

(Z)-N-ethyl-N,3-dimethyl-2-(methylideneamino)but-1-en-1-amine (PubChem CID 146666182) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is (Z)-N-ethyl-N,3-dimethyl-2-(methylideneamino)but-1-en-1-amine.

Molecular Properties

Compound Name(Z)-N-ethyl-N,3-dimethyl-2-(methylideneamino)but-1-en-1-amine
PubChem CID146666182
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name(Z)-N-ethyl-N,3-dimethyl-2-(methylideneamino)but-1-en-1-amine
SMILESC=N/C(=C\N(C)CC)C(C)C
InChIInChI=1S/C9H18N2/c1-6-11(5)7-9(10-4)8(2)3/h7-8H,4,6H2,1-3,5H3/b9-7-
InChIKeyRWEDSAAENZGSMO-CLFYSBASSA-N
XLogP2.14
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.14
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-ethyl-N,3-dimethyl-2-(methylideneamino)but-1-en-1-amine?
The IUPAC name of (Z)-N-ethyl-N,3-dimethyl-2-(methylideneamino)but-1-en-1-amine (CID 146666182) is (Z)-N-ethyl-N,3-dimethyl-2-(methylideneamino)but-1-en-1-amine.
What is the SMILES notation for (Z)-N-ethyl-N,3-dimethyl-2-(methylideneamino)but-1-en-1-amine?
The canonical SMILES for (Z)-N-ethyl-N,3-dimethyl-2-(methylideneamino)but-1-en-1-amine is C=N/C(=C\N(C)CC)C(C)C.
What is the InChIKey of (Z)-N-ethyl-N,3-dimethyl-2-(methylideneamino)but-1-en-1-amine?
The InChIKey is RWEDSAAENZGSMO-CLFYSBASSA-N. The full InChI is InChI=1S/C9H18N2/c1-6-11(5)7-9(10-4)8(2)3/h7-8H,4,6H2,1-3,5H3/b9-7-.
What are the key properties of (Z)-N-ethyl-N,3-dimethyl-2-(methylideneamino)but-1-en-1-amine?
(Z)-N-ethyl-N,3-dimethyl-2-(methylideneamino)but-1-en-1-amine has a molecular weight of 154.26 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethyl-N,3-dimethyl-2-(methylideneamino)but-1-en-1-amine is sourced from PubChem (CID 146666182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).