(2Z,4Z)-2-methoxy-5,6-dimethylhepta-2,4,6-trien-3-amine

C10H17NO — CID 134176903

IUPAC(2Z,4Z)-2-methoxy-5,6-dimethylhepta-2,4,6-trien-3-amine
SMILESC=C(C)/C(C)=C\C(N)=C(/C)OC
InChIInChI=1S/C10H17NO/c1-7(2)8(3)6-10(11)9(4)12-5/h6H,1,11H2,2-5H3/b8-6-,10-9-
InChIKeyPRQWJVYJQOIUFS-VAOAJWRNSA-N
MW167.25 g/mol
LogP2.35
Rot. Bonds3

About (2Z,4Z)-2-methoxy-5,6-dimethylhepta-2,4,6-trien-3-amine

(2Z,4Z)-2-methoxy-5,6-dimethylhepta-2,4,6-trien-3-amine (PubChem CID 134176903) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (2Z,4Z)-2-methoxy-5,6-dimethylhepta-2,4,6-trien-3-amine.

Molecular Properties

Compound Name(2Z,4Z)-2-methoxy-5,6-dimethylhepta-2,4,6-trien-3-amine
PubChem CID134176903
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(2Z,4Z)-2-methoxy-5,6-dimethylhepta-2,4,6-trien-3-amine
SMILESC=C(C)/C(C)=C\C(N)=C(/C)OC
InChIInChI=1S/C10H17NO/c1-7(2)8(3)6-10(11)9(4)12-5/h6H,1,11H2,2-5H3/b8-6-,10-9-
InChIKeyPRQWJVYJQOIUFS-VAOAJWRNSA-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

(3E,6E)-4-fluoro-6-methoxynona-1,3,6-trien-2-amine
CID 138711458
6-Fluoro-4-methoxy-2-methylcyclohepta-1,3,6-trien-1-amine
CID 138711459
(3Z,5E)-3-methoxy-7,7-dimethylocta-1,3,5-trien-4-amine
CID 88960998
(3E,5Z,7E)-5-methoxy-6,7-dimethylnona-3,5,7-trien-3-amine
CID 89240453
(E)-1-cyclopropylidene-2-methyl-3-(2-methylprop-1-enoxy)prop-2-en-1-amine
CID 130390014
(3Z)-4-methoxy-2-methylpenta-1,3-dien-3-amine
CID 134468970
(2Z,4Z)-N-(dimethylaminosulfanyl)-2-methoxy-5-methylhepta-2,4-dien-3-amine
CID 135295396
(3E)-4-methoxy-3-methylhexa-1,3-dien-2-amine
CID 137484755
5-Ethyl-4-methoxycyclohepta-1,4,6-trien-1-amine
CID 138711950
(3E)-4-methoxyhexa-1,3-dien-2-amine
CID 139378141
4-Methoxycyclohepta-1,3,6-trien-1-amine
CID 142264180
(2E,4E)-5-methoxyhepta-2,4-dien-2-amine
CID 142597245

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-2-methoxy-5,6-dimethylhepta-2,4,6-trien-3-amine?
The IUPAC name of (2Z,4Z)-2-methoxy-5,6-dimethylhepta-2,4,6-trien-3-amine (CID 134176903) is (2Z,4Z)-2-methoxy-5,6-dimethylhepta-2,4,6-trien-3-amine.
What is the SMILES notation for (2Z,4Z)-2-methoxy-5,6-dimethylhepta-2,4,6-trien-3-amine?
The canonical SMILES for (2Z,4Z)-2-methoxy-5,6-dimethylhepta-2,4,6-trien-3-amine is C=C(C)/C(C)=C\C(N)=C(/C)OC.
What is the InChIKey of (2Z,4Z)-2-methoxy-5,6-dimethylhepta-2,4,6-trien-3-amine?
The InChIKey is PRQWJVYJQOIUFS-VAOAJWRNSA-N. The full InChI is InChI=1S/C10H17NO/c1-7(2)8(3)6-10(11)9(4)12-5/h6H,1,11H2,2-5H3/b8-6-,10-9-.
What are the key properties of (2Z,4Z)-2-methoxy-5,6-dimethylhepta-2,4,6-trien-3-amine?
(2Z,4Z)-2-methoxy-5,6-dimethylhepta-2,4,6-trien-3-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 (2Z,4Z)-2-methoxy-5,6-dimethylhepta-2,4,6-trien-3-amine is sourced from PubChem (CID 134176903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).