(3E,5E)-5-chloro-N,3-dimethylocta-3,5-dien-4-amine

C10H18ClN — CID 171794714

IUPAC(3E,5E)-5-chloro-N,3-dimethylocta-3,5-dien-4-amine
SMILESCC/C=C(Cl)\C(NC)=C(\C)CC
InChIInChI=1S/C10H18ClN/c1-5-7-9(11)10(12-4)8(3)6-2/h7,12H,5-6H2,1-4H3/b9-7+,10-8+
InChIKeyOWQACDXUQXBVDL-FIFLTTCUSA-N
MW187.71 g/mol
LogP3.42
Rot. Bonds4

About (3E,5E)-5-chloro-N,3-dimethylocta-3,5-dien-4-amine

(3E,5E)-5-chloro-N,3-dimethylocta-3,5-dien-4-amine (PubChem CID 171794714) has the molecular formula C10H18ClN and a molecular weight of 187.71 g/mol. Its IUPAC name is (3E,5E)-5-chloro-N,3-dimethylocta-3,5-dien-4-amine.

Molecular Properties

Compound Name(3E,5E)-5-chloro-N,3-dimethylocta-3,5-dien-4-amine
PubChem CID171794714
Molecular FormulaC10H18ClN
Molecular Weight187.71 g/mol
Exact Mass187.11
IUPAC Name(3E,5E)-5-chloro-N,3-dimethylocta-3,5-dien-4-amine
SMILESCC/C=C(Cl)\C(NC)=C(\C)CC
InChIInChI=1S/C10H18ClN/c1-5-7-9(11)10(12-4)8(3)6-2/h7,12H,5-6H2,1-4H3/b9-7+,10-8+
InChIKeyOWQACDXUQXBVDL-FIFLTTCUSA-N
XLogP3.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.71
LogP ≤ 53.42
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

(3E,5Z)-4-chloro-5-methylocta-3,5-diene;ethane;ethene
CID 143348498
(2E,4Z)-3-chloro-4-methylhepta-2,4-diene
CID 134365693
(3Z,8Z)-4,8-dichloroundeca-3,8-diene-5,6,7-trione
CID 88840980
(2E,4E)-3-chloro-5-methylhepta-2,4-dien-4-amine
CID 145473645
(3E)-4,5-diethyl-3-methylocta-3,5-diene
CID 177392268
(E)-2-[(2Z)-2-ethylidenehydrazinyl]-N,3-dimethylpent-2-enamide
CID 143941192
(Z)-2-ethyl-N-methylpent-2-enamide
CID 177053955
(Z)-2-(methylamino)pent-2-enal
CID 144647822
methane;(E)-3-methylhex-3-ene
CID 157350431
methane;(Z)-3-methylhex-3-ene
CID 168892321
(3Z,5Z)-N,5-dimethylocta-1,3,5-trien-2-amine
CID 166102143
2,3-dichloro-5-methylocta-1,3,5-triene
CID 123372962

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-5-chloro-N,3-dimethylocta-3,5-dien-4-amine?
The IUPAC name of (3E,5E)-5-chloro-N,3-dimethylocta-3,5-dien-4-amine (CID 171794714) is (3E,5E)-5-chloro-N,3-dimethylocta-3,5-dien-4-amine.
What is the SMILES notation for (3E,5E)-5-chloro-N,3-dimethylocta-3,5-dien-4-amine?
The canonical SMILES for (3E,5E)-5-chloro-N,3-dimethylocta-3,5-dien-4-amine is CC/C=C(Cl)\C(NC)=C(\C)CC.
What is the InChIKey of (3E,5E)-5-chloro-N,3-dimethylocta-3,5-dien-4-amine?
The InChIKey is OWQACDXUQXBVDL-FIFLTTCUSA-N. The full InChI is InChI=1S/C10H18ClN/c1-5-7-9(11)10(12-4)8(3)6-2/h7,12H,5-6H2,1-4H3/b9-7+,10-8+.
What are the key properties of (3E,5E)-5-chloro-N,3-dimethylocta-3,5-dien-4-amine?
(3E,5E)-5-chloro-N,3-dimethylocta-3,5-dien-4-amine has a molecular weight of 187.71 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-5-chloro-N,3-dimethylocta-3,5-dien-4-amine is sourced from PubChem (CID 171794714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).