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

C10H17NO — CID 130225156

IUPAC(2Z,4Z)-6-propan-2-yloxyhepta-2,4,6-trien-2-amine
SMILESC=C(/C=C\C=C(\C)N)OC(C)C
InChIInChI=1S/C10H17NO/c1-8(2)12-10(4)7-5-6-9(3)11/h5-8H,4,11H2,1-3H3/b7-5-,9-6-
InChIKeyIXRILIRHBSQBJB-BSIYMUDXSA-N
MW167.25 g/mol
LogP2.34
Rot. Bonds4

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

(2Z,4Z)-6-propan-2-yloxyhepta-2,4,6-trien-2-amine (PubChem CID 130225156) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (2Z,4Z)-6-propan-2-yloxyhepta-2,4,6-trien-2-amine.

Molecular Properties

Compound Name(2Z,4Z)-6-propan-2-yloxyhepta-2,4,6-trien-2-amine
PubChem CID130225156
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(2Z,4Z)-6-propan-2-yloxyhepta-2,4,6-trien-2-amine
SMILESC=C(/C=C\C=C(\C)N)OC(C)C
InChIInChI=1S/C10H17NO/c1-8(2)12-10(4)7-5-6-9(3)11/h5-8H,4,11H2,1-3H3/b7-5-,9-6-
InChIKeyIXRILIRHBSQBJB-BSIYMUDXSA-N
XLogP2.34
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.34
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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Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-6-propan-2-yloxyhepta-2,4,6-trien-2-amine?
The IUPAC name of (2Z,4Z)-6-propan-2-yloxyhepta-2,4,6-trien-2-amine (CID 130225156) is (2Z,4Z)-6-propan-2-yloxyhepta-2,4,6-trien-2-amine.
What is the SMILES notation for (2Z,4Z)-6-propan-2-yloxyhepta-2,4,6-trien-2-amine?
The canonical SMILES for (2Z,4Z)-6-propan-2-yloxyhepta-2,4,6-trien-2-amine is C=C(/C=C\C=C(\C)N)OC(C)C.
What is the InChIKey of (2Z,4Z)-6-propan-2-yloxyhepta-2,4,6-trien-2-amine?
The InChIKey is IXRILIRHBSQBJB-BSIYMUDXSA-N. The full InChI is InChI=1S/C10H17NO/c1-8(2)12-10(4)7-5-6-9(3)11/h5-8H,4,11H2,1-3H3/b7-5-,9-6-.
What are the key properties of (2Z,4Z)-6-propan-2-yloxyhepta-2,4,6-trien-2-amine?
(2Z,4Z)-6-propan-2-yloxyhepta-2,4,6-trien-2-amine has a molecular weight of 167.25 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-6-propan-2-yloxyhepta-2,4,6-trien-2-amine is sourced from PubChem (CID 130225156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).