(Z,2R)-4,5-dimethyl-3-[(Z)-pent-2-en-2-yl]oxyhex-3-en-2-amine

C13H25NO — CID 155349088

IUPAC(Z,2R)-4,5-dimethyl-3-[(Z)-pent-2-en-2-yl]oxyhex-3-en-2-amine
SMILESCC/C=C(/C)O/C(=C(/C)C(C)C)[C@@H](C)N
InChIInChI=1S/C13H25NO/c1-7-8-10(4)15-13(12(6)14)11(5)9(2)3/h8-9,12H,7,14H2,1-6H3/b10-8-,13-11-/t12-/m1/s1
InChIKeyXRRGZAQQNMLFGC-FFYHPTDTSA-N
MW211.35 g/mol
LogP3.59
Rot. Bonds5

About (Z,2R)-4,5-dimethyl-3-[(Z)-pent-2-en-2-yl]oxyhex-3-en-2-amine

(Z,2R)-4,5-dimethyl-3-[(Z)-pent-2-en-2-yl]oxyhex-3-en-2-amine (PubChem CID 155349088) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is (Z,2R)-4,5-dimethyl-3-[(Z)-pent-2-en-2-yl]oxyhex-3-en-2-amine.

Molecular Properties

Compound Name(Z,2R)-4,5-dimethyl-3-[(Z)-pent-2-en-2-yl]oxyhex-3-en-2-amine
PubChem CID155349088
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name(Z,2R)-4,5-dimethyl-3-[(Z)-pent-2-en-2-yl]oxyhex-3-en-2-amine
SMILESCC/C=C(/C)O/C(=C(/C)C(C)C)[C@@H](C)N
InChIInChI=1S/C13H25NO/c1-7-8-10(4)15-13(12(6)14)11(5)9(2)3/h8-9,12H,7,14H2,1-6H3/b10-8-,13-11-/t12-/m1/s1
InChIKeyXRRGZAQQNMLFGC-FFYHPTDTSA-N
XLogP3.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,2R)-4,5-dimethyl-3-[(Z)-pent-2-en-2-yl]oxyhex-3-en-2-amine?
The IUPAC name of (Z,2R)-4,5-dimethyl-3-[(Z)-pent-2-en-2-yl]oxyhex-3-en-2-amine (CID 155349088) is (Z,2R)-4,5-dimethyl-3-[(Z)-pent-2-en-2-yl]oxyhex-3-en-2-amine.
What is the SMILES notation for (Z,2R)-4,5-dimethyl-3-[(Z)-pent-2-en-2-yl]oxyhex-3-en-2-amine?
The canonical SMILES for (Z,2R)-4,5-dimethyl-3-[(Z)-pent-2-en-2-yl]oxyhex-3-en-2-amine is CC/C=C(/C)O/C(=C(/C)C(C)C)[C@@H](C)N.
What is the InChIKey of (Z,2R)-4,5-dimethyl-3-[(Z)-pent-2-en-2-yl]oxyhex-3-en-2-amine?
The InChIKey is XRRGZAQQNMLFGC-FFYHPTDTSA-N. The full InChI is InChI=1S/C13H25NO/c1-7-8-10(4)15-13(12(6)14)11(5)9(2)3/h8-9,12H,7,14H2,1-6H3/b10-8-,13-11-/t12-/m1/s1.
What are the key properties of (Z,2R)-4,5-dimethyl-3-[(Z)-pent-2-en-2-yl]oxyhex-3-en-2-amine?
(Z,2R)-4,5-dimethyl-3-[(Z)-pent-2-en-2-yl]oxyhex-3-en-2-amine has a molecular weight of 211.35 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2R)-4,5-dimethyl-3-[(Z)-pent-2-en-2-yl]oxyhex-3-en-2-amine is sourced from PubChem (CID 155349088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).