2-methylpropane;(Z)-2-propan-2-yloxybut-2-en-1-amine

C11H25NO — CID 142180418

IUPAC2-methylpropane;(Z)-2-propan-2-yloxybut-2-en-1-amine
SMILESC/C=C(/CN)OC(C)C.CC(C)C
InChIInChI=1S/C7H15NO.C4H10/c1-4-7(5-8)9-6(2)3;1-4(2)3/h4,6H,5,8H2,1-3H3;4H,1-3H3/b7-4-;
InChIKeyXRWRGDMDBFSQHM-ZULQGGHCSA-N
MW187.33 g/mol
LogP2.94
Rot. Bonds3

About 2-methylpropane;(Z)-2-propan-2-yloxybut-2-en-1-amine

2-methylpropane;(Z)-2-propan-2-yloxybut-2-en-1-amine (PubChem CID 142180418) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 2-methylpropane;(Z)-2-propan-2-yloxybut-2-en-1-amine.

Molecular Properties

Compound Name2-methylpropane;(Z)-2-propan-2-yloxybut-2-en-1-amine
PubChem CID142180418
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name2-methylpropane;(Z)-2-propan-2-yloxybut-2-en-1-amine
SMILESC/C=C(/CN)OC(C)C.CC(C)C
InChIInChI=1S/C7H15NO.C4H10/c1-4-7(5-8)9-6(2)3;1-4(2)3/h4,6H,5,8H2,1-3H3;4H,1-3H3/b7-4-;
InChIKeyXRWRGDMDBFSQHM-ZULQGGHCSA-N
XLogP2.94
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.94
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 2-methylpropane;(Z)-2-propan-2-yloxybut-2-en-1-amine?
The IUPAC name of 2-methylpropane;(Z)-2-propan-2-yloxybut-2-en-1-amine (CID 142180418) is 2-methylpropane;(Z)-2-propan-2-yloxybut-2-en-1-amine.
What is the SMILES notation for 2-methylpropane;(Z)-2-propan-2-yloxybut-2-en-1-amine?
The canonical SMILES for 2-methylpropane;(Z)-2-propan-2-yloxybut-2-en-1-amine is C/C=C(/CN)OC(C)C.CC(C)C.
What is the InChIKey of 2-methylpropane;(Z)-2-propan-2-yloxybut-2-en-1-amine?
The InChIKey is XRWRGDMDBFSQHM-ZULQGGHCSA-N. The full InChI is InChI=1S/C7H15NO.C4H10/c1-4-7(5-8)9-6(2)3;1-4(2)3/h4,6H,5,8H2,1-3H3;4H,1-3H3/b7-4-;.
What are the key properties of 2-methylpropane;(Z)-2-propan-2-yloxybut-2-en-1-amine?
2-methylpropane;(Z)-2-propan-2-yloxybut-2-en-1-amine has a molecular weight of 187.33 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropane;(Z)-2-propan-2-yloxybut-2-en-1-amine is sourced from PubChem (CID 142180418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).