(2Z,4Z)-6-methyl-2-propan-2-yloxyhepta-2,4,6-trien-3-amine

C11H19NO — CID 153376208

IUPAC(2Z,4Z)-6-methyl-2-propan-2-yloxyhepta-2,4,6-trien-3-amine
SMILESC=C(C)/C=C\C(N)=C(/C)OC(C)C
InChIInChI=1S/C11H19NO/c1-8(2)6-7-11(12)10(5)13-9(3)4/h6-7,9H,1,12H2,2-5H3/b7-6-,11-10-
InChIKeyXUVMVDQELUWNIZ-QOXWLJPHSA-N
MW181.28 g/mol
LogP2.73
Rot. Bonds4

About (2Z,4Z)-6-methyl-2-propan-2-yloxyhepta-2,4,6-trien-3-amine

(2Z,4Z)-6-methyl-2-propan-2-yloxyhepta-2,4,6-trien-3-amine (PubChem CID 153376208) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (2Z,4Z)-6-methyl-2-propan-2-yloxyhepta-2,4,6-trien-3-amine.

Molecular Properties

Compound Name(2Z,4Z)-6-methyl-2-propan-2-yloxyhepta-2,4,6-trien-3-amine
PubChem CID153376208
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(2Z,4Z)-6-methyl-2-propan-2-yloxyhepta-2,4,6-trien-3-amine
SMILESC=C(C)/C=C\C(N)=C(/C)OC(C)C
InChIInChI=1S/C11H19NO/c1-8(2)6-7-11(12)10(5)13-9(3)4/h6-7,9H,1,12H2,2-5H3/b7-6-,11-10-
InChIKeyXUVMVDQELUWNIZ-QOXWLJPHSA-N
XLogP2.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.73
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

(2E,4Z,6Z)-5-ethoxy-4-[(E)-prop-1-enyl]octa-2,4,6-trien-2-amine
CID 126711921
(2Z,4Z)-2-methoxy-5,6-dimethylhepta-2,4,6-trien-3-amine
CID 134176903
5-(Propan-2-yloxymethylidene)cyclohexa-1,3-dien-1-amine
CID 141747537
(1Z,3Z)-1-methoxy-4-methylhexa-1,3,5-trien-2-amine
CID 141786537
ethane;(2E,4E)-3-methyl-4-propoxyhepta-2,4,6-trien-2-amine
CID 141915048
Ethane;molecular hydrogen;4-propoxycyclohepta-1,3,6-trien-1-amine
CID 141975281
(2E,4Z,6Z)-5-ethenylocta-2,4,6-trien-2-amine;methoxyethane
CID 144102028
(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
6-(2-Methylpropoxy)cyclohepta-1,3,6-trien-1-amine
CID 145602395
(1E,3E)-1-butan-2-yloxy-2,5-dimethylhexa-1,3,5-triene-1,4-diamine
CID 146420227

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-6-methyl-2-propan-2-yloxyhepta-2,4,6-trien-3-amine?
The IUPAC name of (2Z,4Z)-6-methyl-2-propan-2-yloxyhepta-2,4,6-trien-3-amine (CID 153376208) is (2Z,4Z)-6-methyl-2-propan-2-yloxyhepta-2,4,6-trien-3-amine.
What is the SMILES notation for (2Z,4Z)-6-methyl-2-propan-2-yloxyhepta-2,4,6-trien-3-amine?
The canonical SMILES for (2Z,4Z)-6-methyl-2-propan-2-yloxyhepta-2,4,6-trien-3-amine is C=C(C)/C=C\C(N)=C(/C)OC(C)C.
What is the InChIKey of (2Z,4Z)-6-methyl-2-propan-2-yloxyhepta-2,4,6-trien-3-amine?
The InChIKey is XUVMVDQELUWNIZ-QOXWLJPHSA-N. The full InChI is InChI=1S/C11H19NO/c1-8(2)6-7-11(12)10(5)13-9(3)4/h6-7,9H,1,12H2,2-5H3/b7-6-,11-10-.
What are the key properties of (2Z,4Z)-6-methyl-2-propan-2-yloxyhepta-2,4,6-trien-3-amine?
(2Z,4Z)-6-methyl-2-propan-2-yloxyhepta-2,4,6-trien-3-amine has a molecular weight of 181.28 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-6-methyl-2-propan-2-yloxyhepta-2,4,6-trien-3-amine is sourced from PubChem (CID 153376208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).