(4E)-4-cyclopropyloxy-2,6-dimethylhepta-2,4,6-trien-3-amine

C12H19NO — CID 163265834

IUPAC(4E)-4-cyclopropyloxy-2,6-dimethylhepta-2,4,6-trien-3-amine
SMILESC=C(C)/C=C(/OC1CC1)C(N)=C(C)C
InChIInChI=1S/C12H19NO/c1-8(2)7-11(12(13)9(3)4)14-10-5-6-10/h7,10H,1,5-6,13H2,2-4H3/b11-7+
InChIKeyXKOQHZVPWVLJES-YRNVUSSQSA-N
MW193.29 g/mol
LogP2.88
Rot. Bonds4

About (4E)-4-cyclopropyloxy-2,6-dimethylhepta-2,4,6-trien-3-amine

(4E)-4-cyclopropyloxy-2,6-dimethylhepta-2,4,6-trien-3-amine (PubChem CID 163265834) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (4E)-4-cyclopropyloxy-2,6-dimethylhepta-2,4,6-trien-3-amine.

Molecular Properties

Compound Name(4E)-4-cyclopropyloxy-2,6-dimethylhepta-2,4,6-trien-3-amine
PubChem CID163265834
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(4E)-4-cyclopropyloxy-2,6-dimethylhepta-2,4,6-trien-3-amine
SMILESC=C(C)/C=C(/OC1CC1)C(N)=C(C)C
InChIInChI=1S/C12H19NO/c1-8(2)7-11(12(13)9(3)4)14-10-5-6-10/h7,10H,1,5-6,13H2,2-4H3/b11-7+
InChIKeyXKOQHZVPWVLJES-YRNVUSSQSA-N
XLogP2.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.88
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

(4E)-4-(2,2-difluoroethoxy)-2,6-dimethylhepta-2,4,6-trien-3-amine
CID 156872451
(3E)-2-propan-2-yloxyhexa-1,3-dien-3-amine
CID 88945607
(3E,5Z)-3,7-dimethoxy-5-methylhepta-1,3,5-trien-2-amine
CID 90137721
ethane;(2E,4E)-3-methyl-4-propoxyhepta-2,4,6-trien-2-amine
CID 141915048
ethane;(3E,5Z)-2-methoxy-5-methylhepta-1,3,5-trien-3-amine
CID 143256404
ethane;(3E)-2-methoxy-5-methylhexa-1,3,5-trien-3-amine
CID 143256489
ethane;(2E,4E,6Z)-3-methoxy-6-methylocta-2,4,6-trien-4-amine
CID 143256813
(3E)-2-ethoxy-5-methylhexa-1,3,5-trien-3-amine
CID 144761141
potassium;carbanide;(4E)-4-(2,2-difluoroethoxy)-2,6-dimethylhepta-2,4,6-trien-3-amine
CID 156872450
(4E)-4-cyclopropyloxy-2,6-dimethylhepta-2,4,6-trien-3-amine;ethane
CID 163265833
(3E)-3-cyclopropyloxyhexa-1,3-dien-2-amine
CID 166783271
(2E,4Z,6E)-6-methoxy-4-methylnona-2,4,6-trien-3-amine
CID 167302985

Frequently Asked Questions

What is the IUPAC name of (4E)-4-cyclopropyloxy-2,6-dimethylhepta-2,4,6-trien-3-amine?
The IUPAC name of (4E)-4-cyclopropyloxy-2,6-dimethylhepta-2,4,6-trien-3-amine (CID 163265834) is (4E)-4-cyclopropyloxy-2,6-dimethylhepta-2,4,6-trien-3-amine.
What is the SMILES notation for (4E)-4-cyclopropyloxy-2,6-dimethylhepta-2,4,6-trien-3-amine?
The canonical SMILES for (4E)-4-cyclopropyloxy-2,6-dimethylhepta-2,4,6-trien-3-amine is C=C(C)/C=C(/OC1CC1)C(N)=C(C)C.
What is the InChIKey of (4E)-4-cyclopropyloxy-2,6-dimethylhepta-2,4,6-trien-3-amine?
The InChIKey is XKOQHZVPWVLJES-YRNVUSSQSA-N. The full InChI is InChI=1S/C12H19NO/c1-8(2)7-11(12(13)9(3)4)14-10-5-6-10/h7,10H,1,5-6,13H2,2-4H3/b11-7+.
What are the key properties of (4E)-4-cyclopropyloxy-2,6-dimethylhepta-2,4,6-trien-3-amine?
(4E)-4-cyclopropyloxy-2,6-dimethylhepta-2,4,6-trien-3-amine has a molecular weight of 193.29 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-cyclopropyloxy-2,6-dimethylhepta-2,4,6-trien-3-amine is sourced from PubChem (CID 163265834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).