(Z)-2-ethenyl-N-ethyl-1-(methylideneamino)hex-1-en-1-amine

C11H20N2 — CID 126545551

IUPAC(Z)-2-ethenyl-N-ethyl-1-(methylideneamino)hex-1-en-1-amine
SMILESC=C/C(CCCC)=C(\N=C)NCC
InChIInChI=1S/C11H20N2/c1-5-8-9-10(6-2)11(12-4)13-7-3/h6,13H,2,4-5,7-9H2,1,3H3/b11-10-
InChIKeyBUHVKDCREWTBGE-KHPPLWFESA-N
MW180.29 g/mol
LogP2.88
Rot. Bonds7

About (Z)-2-ethenyl-N-ethyl-1-(methylideneamino)hex-1-en-1-amine

(Z)-2-ethenyl-N-ethyl-1-(methylideneamino)hex-1-en-1-amine (PubChem CID 126545551) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is (Z)-2-ethenyl-N-ethyl-1-(methylideneamino)hex-1-en-1-amine.

Molecular Properties

Compound Name(Z)-2-ethenyl-N-ethyl-1-(methylideneamino)hex-1-en-1-amine
PubChem CID126545551
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name(Z)-2-ethenyl-N-ethyl-1-(methylideneamino)hex-1-en-1-amine
SMILESC=C/C(CCCC)=C(\N=C)NCC
InChIInChI=1S/C11H20N2/c1-5-8-9-10(6-2)11(12-4)13-7-3/h6,13H,2,4-5,7-9H2,1,3H3/b11-10-
InChIKeyBUHVKDCREWTBGE-KHPPLWFESA-N
XLogP2.88
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-ethenyl-N-ethyl-1-(methylideneamino)hex-1-en-1-amine?
The IUPAC name of (Z)-2-ethenyl-N-ethyl-1-(methylideneamino)hex-1-en-1-amine (CID 126545551) is (Z)-2-ethenyl-N-ethyl-1-(methylideneamino)hex-1-en-1-amine.
What is the SMILES notation for (Z)-2-ethenyl-N-ethyl-1-(methylideneamino)hex-1-en-1-amine?
The canonical SMILES for (Z)-2-ethenyl-N-ethyl-1-(methylideneamino)hex-1-en-1-amine is C=C/C(CCCC)=C(\N=C)NCC.
What is the InChIKey of (Z)-2-ethenyl-N-ethyl-1-(methylideneamino)hex-1-en-1-amine?
The InChIKey is BUHVKDCREWTBGE-KHPPLWFESA-N. The full InChI is InChI=1S/C11H20N2/c1-5-8-9-10(6-2)11(12-4)13-7-3/h6,13H,2,4-5,7-9H2,1,3H3/b11-10-.
What are the key properties of (Z)-2-ethenyl-N-ethyl-1-(methylideneamino)hex-1-en-1-amine?
(Z)-2-ethenyl-N-ethyl-1-(methylideneamino)hex-1-en-1-amine has a molecular weight of 180.29 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-ethenyl-N-ethyl-1-(methylideneamino)hex-1-en-1-amine is sourced from PubChem (CID 126545551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).