(Z)-2-methoxy-4,5-dimethylhex-2-en-1-amine;2-methylpropane

C13H29NO — CID 142180785

IUPAC(Z)-2-methoxy-4,5-dimethylhex-2-en-1-amine;2-methylpropane
SMILESCC(C)C.CO/C(=C\C(C)C(C)C)CN
InChIInChI=1S/C9H19NO.C4H10/c1-7(2)8(3)5-9(6-10)11-4;1-4(2)3/h5,7-8H,6,10H2,1-4H3;4H,1-3H3/b9-5-;
InChIKeySSIVVYMYGMEGJF-UYTGOYFPSA-N
MW215.38 g/mol
LogP3.43
Rot. Bonds4

About (Z)-2-methoxy-4,5-dimethylhex-2-en-1-amine;2-methylpropane

(Z)-2-methoxy-4,5-dimethylhex-2-en-1-amine;2-methylpropane (PubChem CID 142180785) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is (Z)-2-methoxy-4,5-dimethylhex-2-en-1-amine;2-methylpropane.

Molecular Properties

Compound Name(Z)-2-methoxy-4,5-dimethylhex-2-en-1-amine;2-methylpropane
PubChem CID142180785
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name(Z)-2-methoxy-4,5-dimethylhex-2-en-1-amine;2-methylpropane
SMILESCC(C)C.CO/C(=C\C(C)C(C)C)CN
InChIInChI=1S/C9H19NO.C4H10/c1-7(2)8(3)5-9(6-10)11-4;1-4(2)3/h5,7-8H,6,10H2,1-4H3;4H,1-3H3/b9-5-;
InChIKeySSIVVYMYGMEGJF-UYTGOYFPSA-N
XLogP3.43
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.43
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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Related Compounds

2-Methoxy-4-methylpent-2-en-1-amine
CID 54437080
(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;fluoroethane;(Z)-2-methoxy-4-methylpent-2-en-1-amine
CID 142810077
(Z)-2-ethoxypent-2-en-1-amine;methylcyclopropane
CID 142810125
ethane;2-methylpropane;(Z)-2-prop-1-en-2-yloxypent-2-en-1-amine
CID 142810190
(4-propan-2-yl-4H-pyran-2-yl)methanamine
CID 142856811
(2,3-Dimethyl-2,3-dihydrofuran-5-yl)methanamine;ethane;propane
CID 142883616
(Z)-2-ethoxy-4-methylpent-2-en-1-amine;methylcyclopropane
CID 143080229
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-methoxy-4,5-dimethylhex-2-en-1-amine
CID 142180786

Frequently Asked Questions

What is the IUPAC name of (Z)-2-methoxy-4,5-dimethylhex-2-en-1-amine;2-methylpropane?
The IUPAC name of (Z)-2-methoxy-4,5-dimethylhex-2-en-1-amine;2-methylpropane (CID 142180785) is (Z)-2-methoxy-4,5-dimethylhex-2-en-1-amine;2-methylpropane.
What is the SMILES notation for (Z)-2-methoxy-4,5-dimethylhex-2-en-1-amine;2-methylpropane?
The canonical SMILES for (Z)-2-methoxy-4,5-dimethylhex-2-en-1-amine;2-methylpropane is CC(C)C.CO/C(=C\C(C)C(C)C)CN.
What is the InChIKey of (Z)-2-methoxy-4,5-dimethylhex-2-en-1-amine;2-methylpropane?
The InChIKey is SSIVVYMYGMEGJF-UYTGOYFPSA-N. The full InChI is InChI=1S/C9H19NO.C4H10/c1-7(2)8(3)5-9(6-10)11-4;1-4(2)3/h5,7-8H,6,10H2,1-4H3;4H,1-3H3/b9-5-;.
What are the key properties of (Z)-2-methoxy-4,5-dimethylhex-2-en-1-amine;2-methylpropane?
(Z)-2-methoxy-4,5-dimethylhex-2-en-1-amine;2-methylpropane has a molecular weight of 215.38 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methoxy-4,5-dimethylhex-2-en-1-amine;2-methylpropane is sourced from PubChem (CID 142180785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).