(2E,4Z)-N-ethyl-7-methylocta-2,4-dien-3-amine

C11H21N — CID 143217992

IUPAC(2E,4Z)-N-ethyl-7-methylocta-2,4-dien-3-amine
SMILESC/C=C(\C=C/CC(C)C)NCC
InChIInChI=1S/C11H21N/c1-5-11(12-6-2)9-7-8-10(3)4/h5,7,9-10,12H,6,8H2,1-4H3/b9-7-,11-5+
InChIKeyGBGPEPISNVHBHA-QSTITTEPSA-N
MW167.30 g/mol
LogP3.10
Rot. Bonds5

About (2E,4Z)-N-ethyl-7-methylocta-2,4-dien-3-amine

(2E,4Z)-N-ethyl-7-methylocta-2,4-dien-3-amine (PubChem CID 143217992) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is (2E,4Z)-N-ethyl-7-methylocta-2,4-dien-3-amine.

Molecular Properties

Compound Name(2E,4Z)-N-ethyl-7-methylocta-2,4-dien-3-amine
PubChem CID143217992
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name(2E,4Z)-N-ethyl-7-methylocta-2,4-dien-3-amine
SMILESC/C=C(\C=C/CC(C)C)NCC
InChIInChI=1S/C11H21N/c1-5-11(12-6-2)9-7-8-10(3)4/h5,7,9-10,12H,6,8H2,1-4H3/b9-7-,11-5+
InChIKeyGBGPEPISNVHBHA-QSTITTEPSA-N
XLogP3.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

(2E,4Z)-N-ethylhepta-2,4,6-trien-3-amine;methane
CID 143049529
(3E)-N-ethylpenta-1,3-dien-3-amine
CID 142013654
(E)-6-methylhept-3-en-2-one
CID 5462986
(2E,4Z)-N-ethyl-6,7-dimethylocta-2,4,6-trien-3-amine;propan-2-one
CID 143458427
(4S,6Z,8E)-4-amino-8-(propylamino)deca-6,8-diene-3-thiol
CID 88578742
ethane;5-methylhex-2-ene;propane
CID 143336274
ethane;(E)-5-methylhex-2-ene
CID 143114143
(E)-2,6-dimethylhept-3-ene
CID 5364654
(E)-4-methylpent-1-en-1-ol
CID 22598252
(E)-N-(cyclopropylmethyl)-5-methylhex-2-enamide
CID 134349628
(E)-N,6-dimethylhept-3-en-2-amine
CID 167073805
5-methylhex-2-en-1-ol
CID 12538351

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-N-ethyl-7-methylocta-2,4-dien-3-amine?
The IUPAC name of (2E,4Z)-N-ethyl-7-methylocta-2,4-dien-3-amine (CID 143217992) is (2E,4Z)-N-ethyl-7-methylocta-2,4-dien-3-amine.
What is the SMILES notation for (2E,4Z)-N-ethyl-7-methylocta-2,4-dien-3-amine?
The canonical SMILES for (2E,4Z)-N-ethyl-7-methylocta-2,4-dien-3-amine is C/C=C(\C=C/CC(C)C)NCC.
What is the InChIKey of (2E,4Z)-N-ethyl-7-methylocta-2,4-dien-3-amine?
The InChIKey is GBGPEPISNVHBHA-QSTITTEPSA-N. The full InChI is InChI=1S/C11H21N/c1-5-11(12-6-2)9-7-8-10(3)4/h5,7,9-10,12H,6,8H2,1-4H3/b9-7-,11-5+.
What are the key properties of (2E,4Z)-N-ethyl-7-methylocta-2,4-dien-3-amine?
(2E,4Z)-N-ethyl-7-methylocta-2,4-dien-3-amine has a molecular weight of 167.30 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N-ethyl-7-methylocta-2,4-dien-3-amine is sourced from PubChem (CID 143217992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).