3-methyl-2-[(Z)-pent-2-en-2-yl]oxybut-2-en-1-amine

C10H19NO — CID 177319822

IUPAC3-methyl-2-[(Z)-pent-2-en-2-yl]oxybut-2-en-1-amine
SMILESCC/C=C(/C)OC(CN)=C(C)C
InChIInChI=1S/C10H19NO/c1-5-6-9(4)12-10(7-11)8(2)3/h6H,5,7,11H2,1-4H3/b9-6-
InChIKeySWOQYUIJJFARIB-TWGQIWQCSA-N
MW169.27 g/mol
LogP2.57
Rot. Bonds4

About 3-methyl-2-[(Z)-pent-2-en-2-yl]oxybut-2-en-1-amine

3-methyl-2-[(Z)-pent-2-en-2-yl]oxybut-2-en-1-amine (PubChem CID 177319822) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-methyl-2-[(Z)-pent-2-en-2-yl]oxybut-2-en-1-amine.

Molecular Properties

Compound Name3-methyl-2-[(Z)-pent-2-en-2-yl]oxybut-2-en-1-amine
PubChem CID177319822
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-methyl-2-[(Z)-pent-2-en-2-yl]oxybut-2-en-1-amine
SMILESCC/C=C(/C)OC(CN)=C(C)C
InChIInChI=1S/C10H19NO/c1-5-6-9(4)12-10(7-11)8(2)3/h6H,5,7,11H2,1-4H3/b9-6-
InChIKeySWOQYUIJJFARIB-TWGQIWQCSA-N
XLogP2.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.57
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
5-Methoxy-2-methylhepta-2,4-dien-1-amine
CID 123747558
(Z)-2-ethyl-3-prop-1-en-2-yloxybut-2-en-1-amine
CID 135258420
2-(3-methylbut-2-en-2-yloxy)-N-propylpent-2-en-1-amine
CID 137538391
(2,6-dimethyl-4H-pyran-3-yl)methanamine
CID 140731358
(Z)-2-methoxy-4,5-dimethylhex-2-en-1-amine;2-methylpropane
CID 142180785
3,4-dihydro-2H-pyran-6-ylmethanamine;ethane
CID 142274774
ethane;fluoroethane;(Z)-2-methoxy-4-methylpent-2-en-1-amine
CID 142810077
(Z)-2-ethoxypent-2-en-1-amine;methylcyclopropane
CID 142810125
(Z)-2-ethoxypent-2-en-1-amine
CID 142810126
ethane;2-methylpropane;(Z)-2-prop-1-en-2-yloxypent-2-en-1-amine
CID 142810190
ethane;(Z)-2-ethoxypent-2-en-1-amine;fluoroethane
CID 142883613

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(Z)-pent-2-en-2-yl]oxybut-2-en-1-amine?
The IUPAC name of 3-methyl-2-[(Z)-pent-2-en-2-yl]oxybut-2-en-1-amine (CID 177319822) is 3-methyl-2-[(Z)-pent-2-en-2-yl]oxybut-2-en-1-amine.
What is the SMILES notation for 3-methyl-2-[(Z)-pent-2-en-2-yl]oxybut-2-en-1-amine?
The canonical SMILES for 3-methyl-2-[(Z)-pent-2-en-2-yl]oxybut-2-en-1-amine is CC/C=C(/C)OC(CN)=C(C)C.
What is the InChIKey of 3-methyl-2-[(Z)-pent-2-en-2-yl]oxybut-2-en-1-amine?
The InChIKey is SWOQYUIJJFARIB-TWGQIWQCSA-N. The full InChI is InChI=1S/C10H19NO/c1-5-6-9(4)12-10(7-11)8(2)3/h6H,5,7,11H2,1-4H3/b9-6-.
What are the key properties of 3-methyl-2-[(Z)-pent-2-en-2-yl]oxybut-2-en-1-amine?
3-methyl-2-[(Z)-pent-2-en-2-yl]oxybut-2-en-1-amine has a molecular weight of 169.27 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(Z)-pent-2-en-2-yl]oxybut-2-en-1-amine is sourced from PubChem (CID 177319822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).