4-ethenyl-N-methylocta-4,6,7-trien-3-amine

C11H17N — CID 123221965

IUPAC4-ethenyl-N-methylocta-4,6,7-trien-3-amine
SMILESC=C=CC=C(C=C)C(CC)NC
InChIInChI=1S/C11H17N/c1-5-8-9-10(6-2)11(7-3)12-4/h6,8-9,11-12H,1-2,7H2,3-4H3
InChIKeyWVNBQOAUQCBNCQ-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.44
Rot. Bonds5

About 4-ethenyl-N-methylocta-4,6,7-trien-3-amine

4-ethenyl-N-methylocta-4,6,7-trien-3-amine (PubChem CID 123221965) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 4-ethenyl-N-methylocta-4,6,7-trien-3-amine.

Molecular Properties

Compound Name4-ethenyl-N-methylocta-4,6,7-trien-3-amine
PubChem CID123221965
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name4-ethenyl-N-methylocta-4,6,7-trien-3-amine
SMILESC=C=CC=C(C=C)C(CC)NC
InChIInChI=1S/C11H17N/c1-5-8-9-10(6-2)11(7-3)12-4/h6,8-9,11-12H,1-2,7H2,3-4H3
InChIKeyWVNBQOAUQCBNCQ-UHFFFAOYSA-N
XLogP2.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethene;(E)-4-ethenyl-N-methylhex-4-en-3-amine
CID 142152607
(3E)-3-ethenyl-2-N-methylhexa-3,5-diene-1,2-diamine
CID 143109843
(3E)-3-ethylidene-N-methyloct-1-en-4-amine
CID 129132264
1-[[(E)-3-ethenyl-4-methylhex-2-enylidene]amino]propan-2-one
CID 143480873
(2S,3E)-3-ethenyl-N,2-dimethylhexa-3,5-dien-1-amine
CID 154678805
N-methyl-4-methylideneheptan-3-amine
CID 166854127
2-methyl-N-[(4E)-4-[(methylideneamino)methylidene]hex-5-en-3-yl]propanamide
CID 163258986
N-methylmethanamine;pentan-3-ol
CID 143532118
(4E)-4-ethenyl-3-ethylhexa-1,4-diene
CID 123978588
ethane;2-(methylamino)butanoic acid
CID 91558033
(2S)-2-(methylamino)butanoyl iodide
CID 163605263
ethene;(3E)-3-ethyl-2-N-methylhexa-3,5-diene-1,2-diamine
CID 143109979

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-N-methylocta-4,6,7-trien-3-amine?
The IUPAC name of 4-ethenyl-N-methylocta-4,6,7-trien-3-amine (CID 123221965) is 4-ethenyl-N-methylocta-4,6,7-trien-3-amine.
What is the SMILES notation for 4-ethenyl-N-methylocta-4,6,7-trien-3-amine?
The canonical SMILES for 4-ethenyl-N-methylocta-4,6,7-trien-3-amine is C=C=CC=C(C=C)C(CC)NC.
What is the InChIKey of 4-ethenyl-N-methylocta-4,6,7-trien-3-amine?
The InChIKey is WVNBQOAUQCBNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-5-8-9-10(6-2)11(7-3)12-4/h6,8-9,11-12H,1-2,7H2,3-4H3.
What are the key properties of 4-ethenyl-N-methylocta-4,6,7-trien-3-amine?
4-ethenyl-N-methylocta-4,6,7-trien-3-amine has a molecular weight of 163.26 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-N-methylocta-4,6,7-trien-3-amine is sourced from PubChem (CID 123221965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).