(2Z,4E)-N,3-diethylocta-2,4-dien-2-amine

C12H23N — CID 170325764

IUPAC(2Z,4E)-N,3-diethylocta-2,4-dien-2-amine
SMILESCCC/C=C/C(CC)=C(/C)NCC
InChIInChI=1S/C12H23N/c1-5-8-9-10-12(6-2)11(4)13-7-3/h9-10,13H,5-8H2,1-4H3/b10-9+,12-11-
InChIKeyDATBPUFXLXFPKJ-PVHUKWJHSA-N
MW181.32 g/mol
LogP3.64
Rot. Bonds6

About (2Z,4E)-N,3-diethylocta-2,4-dien-2-amine

(2Z,4E)-N,3-diethylocta-2,4-dien-2-amine (PubChem CID 170325764) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is (2Z,4E)-N,3-diethylocta-2,4-dien-2-amine.

Molecular Properties

Compound Name(2Z,4E)-N,3-diethylocta-2,4-dien-2-amine
PubChem CID170325764
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name(2Z,4E)-N,3-diethylocta-2,4-dien-2-amine
SMILESCCC/C=C/C(CC)=C(/C)NCC
InChIInChI=1S/C12H23N/c1-5-8-9-10-12(6-2)11(4)13-7-3/h9-10,13H,5-8H2,1-4H3/b10-9+,12-11-
InChIKeyDATBPUFXLXFPKJ-PVHUKWJHSA-N
XLogP3.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.64
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

(2E,4Z,7E)-3-ethyl-N,9-dimethyldeca-2,4,7-trien-2-amine
CID 146656362
(3E)-2-methylhepta-1,3-diene
CID 12928201
2-methylhepta-1,3-diene
CID 54310621
N-ethyl-3-methylbut-2-en-2-amine
CID 143053447
N-propylhex-2-enamide
CID 88538823
(4E,7E)-undeca-4,7-dien-6-one
CID 23366329
(E)-hex-2-enoic acid
CID 5282707
N-chlorohex-2-enamide
CID 140536866
(2E,4Z)-octa-2,4-dien-3-ol
CID 144538239
docosakis(hex-2-enoic acid);phosphane
CID 174896095
(2E,4Z)-3-methyl-N'-(methylamino)-N-(methylideneamino)octa-2,4-dienimidamide
CID 165134874
CID 90268379
CID 90268379

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-N,3-diethylocta-2,4-dien-2-amine?
The IUPAC name of (2Z,4E)-N,3-diethylocta-2,4-dien-2-amine (CID 170325764) is (2Z,4E)-N,3-diethylocta-2,4-dien-2-amine.
What is the SMILES notation for (2Z,4E)-N,3-diethylocta-2,4-dien-2-amine?
The canonical SMILES for (2Z,4E)-N,3-diethylocta-2,4-dien-2-amine is CCC/C=C/C(CC)=C(/C)NCC.
What is the InChIKey of (2Z,4E)-N,3-diethylocta-2,4-dien-2-amine?
The InChIKey is DATBPUFXLXFPKJ-PVHUKWJHSA-N. The full InChI is InChI=1S/C12H23N/c1-5-8-9-10-12(6-2)11(4)13-7-3/h9-10,13H,5-8H2,1-4H3/b10-9+,12-11-.
What are the key properties of (2Z,4E)-N,3-diethylocta-2,4-dien-2-amine?
(2Z,4E)-N,3-diethylocta-2,4-dien-2-amine has a molecular weight of 181.32 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-N,3-diethylocta-2,4-dien-2-amine is sourced from PubChem (CID 170325764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).