(3E,5E)-6-methoxy-3,5-dimethylhepta-1,3,5-trien-4-amine

C10H17NO — CID 172622408

IUPAC(3E,5E)-6-methoxy-3,5-dimethylhepta-1,3,5-trien-4-amine
SMILESC=C/C(C)=C(N)\C(C)=C(/C)OC
InChIInChI=1S/C10H17NO/c1-6-7(2)10(11)8(3)9(4)12-5/h6H,1,11H2,2-5H3/b9-8+,10-7+
InChIKeyLZTOKVIHRANYNJ-DGLUDJRXSA-N
MW167.25 g/mol
LogP2.35
Rot. Bonds3

About (3E,5E)-6-methoxy-3,5-dimethylhepta-1,3,5-trien-4-amine

(3E,5E)-6-methoxy-3,5-dimethylhepta-1,3,5-trien-4-amine (PubChem CID 172622408) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (3E,5E)-6-methoxy-3,5-dimethylhepta-1,3,5-trien-4-amine.

Molecular Properties

Compound Name(3E,5E)-6-methoxy-3,5-dimethylhepta-1,3,5-trien-4-amine
PubChem CID172622408
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(3E,5E)-6-methoxy-3,5-dimethylhepta-1,3,5-trien-4-amine
SMILESC=C/C(C)=C(N)\C(C)=C(/C)OC
InChIInChI=1S/C10H17NO/c1-6-7(2)10(11)8(3)9(4)12-5/h6H,1,11H2,2-5H3/b9-8+,10-7+
InChIKeyLZTOKVIHRANYNJ-DGLUDJRXSA-N
XLogP2.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3Z,5E)-3-methoxy-7,7-dimethylocta-1,3,5-trien-4-amine
CID 88960998
(2Z,4Z)-2-methoxy-5,6-dimethylhepta-2,4,6-trien-3-amine
CID 134176903
(3Z)-4-methoxy-2-methylpenta-1,3-dien-3-amine
CID 134468970
(3E)-4-methoxy-3-methylhexa-1,3-dien-2-amine
CID 137484755
5-Ethyl-4-methoxycyclohepta-1,4,6-trien-1-amine
CID 138711950
ethane;(3Z)-4-methoxyhepta-1,3-dien-3-amine
CID 143329605
(3Z,5Z)-3-methoxy-5-methylhepta-1,3,5-trien-4-amine
CID 143557847
(3Z)-4-methoxy-5,5-dimethylhexa-1,3-dien-2-amine;molecular hydrogen
CID 144288969
ethane;(3Z)-4-methoxy-5-methylhexa-1,3,5-trien-3-amine
CID 144610849
(2E,4Z)-2-methoxy-5-methylhepta-2,4-dien-4-amine
CID 145234596
(2Z,4Z)-6-methyl-2-propan-2-yloxyhepta-2,4,6-trien-3-amine
CID 153376208
(3E,6Z)-6,7-dimethoxyocta-1,3,6-trien-3-amine
CID 155480572

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-6-methoxy-3,5-dimethylhepta-1,3,5-trien-4-amine?
The IUPAC name of (3E,5E)-6-methoxy-3,5-dimethylhepta-1,3,5-trien-4-amine (CID 172622408) is (3E,5E)-6-methoxy-3,5-dimethylhepta-1,3,5-trien-4-amine.
What is the SMILES notation for (3E,5E)-6-methoxy-3,5-dimethylhepta-1,3,5-trien-4-amine?
The canonical SMILES for (3E,5E)-6-methoxy-3,5-dimethylhepta-1,3,5-trien-4-amine is C=C/C(C)=C(N)\C(C)=C(/C)OC.
What is the InChIKey of (3E,5E)-6-methoxy-3,5-dimethylhepta-1,3,5-trien-4-amine?
The InChIKey is LZTOKVIHRANYNJ-DGLUDJRXSA-N. The full InChI is InChI=1S/C10H17NO/c1-6-7(2)10(11)8(3)9(4)12-5/h6H,1,11H2,2-5H3/b9-8+,10-7+.
What are the key properties of (3E,5E)-6-methoxy-3,5-dimethylhepta-1,3,5-trien-4-amine?
(3E,5E)-6-methoxy-3,5-dimethylhepta-1,3,5-trien-4-amine has a molecular weight of 167.25 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-6-methoxy-3,5-dimethylhepta-1,3,5-trien-4-amine is sourced from PubChem (CID 172622408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).