ethene;(E)-4-ethenyl-N-methylhex-4-en-3-amine

C11H21N — CID 142152607

IUPACethene;(E)-4-ethenyl-N-methylhex-4-en-3-amine
SMILESC=C.C=C/C(=C\C)C(CC)NC
InChIInChI=1S/C9H17N.C2H4/c1-5-8(6-2)9(7-3)10-4;1-2/h5-6,9-10H,1,7H2,2-4H3;1-2H2/b8-6+;
InChIKeyANKJFLFIMQDAEK-WVLIHFOGSA-N
MW167.30 g/mol
LogP2.92
Rot. Bonds4

About ethene;(E)-4-ethenyl-N-methylhex-4-en-3-amine

ethene;(E)-4-ethenyl-N-methylhex-4-en-3-amine (PubChem CID 142152607) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is ethene;(E)-4-ethenyl-N-methylhex-4-en-3-amine.

Molecular Properties

Compound Nameethene;(E)-4-ethenyl-N-methylhex-4-en-3-amine
PubChem CID142152607
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Nameethene;(E)-4-ethenyl-N-methylhex-4-en-3-amine
SMILESC=C.C=C/C(=C\C)C(CC)NC
InChIInChI=1S/C9H17N.C2H4/c1-5-8(6-2)9(7-3)10-4;1-2/h5-6,9-10H,1,7H2,2-4H3;1-2H2/b8-6+;
InChIKeyANKJFLFIMQDAEK-WVLIHFOGSA-N
XLogP2.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3E)-3-ethylidene-N-methyloct-1-en-4-amine
CID 129132264
4-ethenyl-N-methylocta-4,6,7-trien-3-amine
CID 123221965
(3E)-3-ethenyl-2-N-methylhexa-3,5-diene-1,2-diamine
CID 143109843
(4E)-4-ethenyl-3-ethylhexa-1,4-diene
CID 123978588
(Z)-5-(methylamino)hept-2-en-4-one
CID 123783043
N-methyl-4-methylideneheptan-3-amine
CID 166854127
ethane;2-methylbutane;N-methylpropan-2-amine;prop-1-ene
CID 156818429
2-methyl-N-[(4E)-4-[(methylideneamino)methylidene]hex-5-en-3-yl]propanamide
CID 163258986
N-methylmethanamine;pentan-3-ol
CID 143532118
(2S)-2-(methylamino)butanoyl iodide
CID 163605263
ethane;2-(methylamino)butanoic acid
CID 91558033
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CID 143109979

Frequently Asked Questions

What is the IUPAC name of ethene;(E)-4-ethenyl-N-methylhex-4-en-3-amine?
The IUPAC name of ethene;(E)-4-ethenyl-N-methylhex-4-en-3-amine (CID 142152607) is ethene;(E)-4-ethenyl-N-methylhex-4-en-3-amine.
What is the SMILES notation for ethene;(E)-4-ethenyl-N-methylhex-4-en-3-amine?
The canonical SMILES for ethene;(E)-4-ethenyl-N-methylhex-4-en-3-amine is C=C.C=C/C(=C\C)C(CC)NC.
What is the InChIKey of ethene;(E)-4-ethenyl-N-methylhex-4-en-3-amine?
The InChIKey is ANKJFLFIMQDAEK-WVLIHFOGSA-N. The full InChI is InChI=1S/C9H17N.C2H4/c1-5-8(6-2)9(7-3)10-4;1-2/h5-6,9-10H,1,7H2,2-4H3;1-2H2/b8-6+;.
What are the key properties of ethene;(E)-4-ethenyl-N-methylhex-4-en-3-amine?
ethene;(E)-4-ethenyl-N-methylhex-4-en-3-amine has a molecular weight of 167.30 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;(E)-4-ethenyl-N-methylhex-4-en-3-amine is sourced from PubChem (CID 142152607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).