(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'}

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

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Related Compounds

3-(4-Amino-2-methylpent-2-en-3-yl)oxy-4-methylpent-3-en-2-amine
CID 87848481
(1R)-1-(2,3-dimethyl-2,3-dihydrofuran-5-yl)-2-methylpropan-1-amine
CID 89017377
(1R)-2-methyl-1-(2-methyl-2,3-dihydrofuran-5-yl)propan-1-amine
CID 89017392
(3R)-4-methyl-2-(3-methylbut-2-en-2-yloxy)pent-1-en-3-amine
CID 89383877
(Z)-2-methyl-4-prop-1-en-2-yloxyhex-4-en-3-amine
CID 142180393
(Z)-4-ethoxy-2-methylhex-4-en-3-amine
CID 142810073
ethane;2-methylpropane;(Z)-2-prop-1-en-2-yloxypent-2-en-1-amine
CID 142810190
3-methyl-2-[(Z)-pent-2-en-2-yl]oxybut-2-en-1-amine
CID 177319822
2-[(Z)-4-methylpent-2-en-3-yl]oxyprop-2-en-1-amine
CID 177319933
(Z)-2-[(Z)-pent-2-en-2-yl]oxybut-2-en-1-amine
CID 177320241
(E,2S)-3-(2-ethylbutoxy)pent-3-en-2-amine;methane;molecular hydrogen
CID 178063295
1-(3,4-dihydro-2H-pyran-6-yl)-2-methylpropan-1-amine
CID 102647132

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).