(3Z)-4-ethyl-N-methylocta-1,3-dien-2-amine

C11H21N — CID 134223566

IUPAC(3Z)-4-ethyl-N-methylocta-1,3-dien-2-amine
SMILESC=C(/C=C(/CC)CCCC)NC
InChIInChI=1S/C11H21N/c1-5-7-8-11(6-2)9-10(3)12-4/h9,12H,3,5-8H2,1-2,4H3/b11-9-
InChIKeyKVJUXGGCUIBYAA-LUAWRHEFSA-N
MW167.30 g/mol
LogP3.25
Rot. Bonds6

About (3Z)-4-ethyl-N-methylocta-1,3-dien-2-amine

(3Z)-4-ethyl-N-methylocta-1,3-dien-2-amine (PubChem CID 134223566) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is (3Z)-4-ethyl-N-methylocta-1,3-dien-2-amine.

Molecular Properties

Compound Name(3Z)-4-ethyl-N-methylocta-1,3-dien-2-amine
PubChem CID134223566
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name(3Z)-4-ethyl-N-methylocta-1,3-dien-2-amine
SMILESC=C(/C=C(/CC)CCCC)NC
InChIInChI=1S/C11H21N/c1-5-7-8-11(6-2)9-10(3)12-4/h9,12H,3,5-8H2,1-2,4H3/b11-9-
InChIKeyKVJUXGGCUIBYAA-LUAWRHEFSA-N
XLogP3.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-4-ethyl-N-methylocta-1,3-dien-2-amine?
The IUPAC name of (3Z)-4-ethyl-N-methylocta-1,3-dien-2-amine (CID 134223566) is (3Z)-4-ethyl-N-methylocta-1,3-dien-2-amine.
What is the SMILES notation for (3Z)-4-ethyl-N-methylocta-1,3-dien-2-amine?
The canonical SMILES for (3Z)-4-ethyl-N-methylocta-1,3-dien-2-amine is C=C(/C=C(/CC)CCCC)NC.
What is the InChIKey of (3Z)-4-ethyl-N-methylocta-1,3-dien-2-amine?
The InChIKey is KVJUXGGCUIBYAA-LUAWRHEFSA-N. The full InChI is InChI=1S/C11H21N/c1-5-7-8-11(6-2)9-10(3)12-4/h9,12H,3,5-8H2,1-2,4H3/b11-9-.
What are the key properties of (3Z)-4-ethyl-N-methylocta-1,3-dien-2-amine?
(3Z)-4-ethyl-N-methylocta-1,3-dien-2-amine has a molecular weight of 167.30 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-ethyl-N-methylocta-1,3-dien-2-amine is sourced from PubChem (CID 134223566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).