3-methyl-N-propan-2-yl-2-prop-2-enoxybutan-1-amine

C11H23NO — CID 62442260

IUPAC3-methyl-N-propan-2-yl-2-prop-2-enoxybutan-1-amine
SMILESC=CCOC(CNC(C)C)C(C)C
InChIInChI=1S/C11H23NO/c1-6-7-13-11(9(2)3)8-12-10(4)5/h6,9-12H,1,7-8H2,2-5H3
InChIKeyHVGQGVRXSXZSJA-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.21
Rot. Bonds7

About 3-methyl-N-propan-2-yl-2-prop-2-enoxybutan-1-amine

3-methyl-N-propan-2-yl-2-prop-2-enoxybutan-1-amine (PubChem CID 62442260) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 3-methyl-N-propan-2-yl-2-prop-2-enoxybutan-1-amine.

Molecular Properties

Compound Name3-methyl-N-propan-2-yl-2-prop-2-enoxybutan-1-amine
PubChem CID62442260
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name3-methyl-N-propan-2-yl-2-prop-2-enoxybutan-1-amine
SMILESC=CCOC(CNC(C)C)C(C)C
InChIInChI=1S/C11H23NO/c1-6-7-13-11(9(2)3)8-12-10(4)5/h6,9-12H,1,7-8H2,2-5H3
InChIKeyHVGQGVRXSXZSJA-UHFFFAOYSA-N
XLogP2.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propan-2-yl-2-prop-2-enoxybutan-1-amine?
The IUPAC name of 3-methyl-N-propan-2-yl-2-prop-2-enoxybutan-1-amine (CID 62442260) is 3-methyl-N-propan-2-yl-2-prop-2-enoxybutan-1-amine.
What is the SMILES notation for 3-methyl-N-propan-2-yl-2-prop-2-enoxybutan-1-amine?
The canonical SMILES for 3-methyl-N-propan-2-yl-2-prop-2-enoxybutan-1-amine is C=CCOC(CNC(C)C)C(C)C.
What is the InChIKey of 3-methyl-N-propan-2-yl-2-prop-2-enoxybutan-1-amine?
The InChIKey is HVGQGVRXSXZSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-6-7-13-11(9(2)3)8-12-10(4)5/h6,9-12H,1,7-8H2,2-5H3.
What are the key properties of 3-methyl-N-propan-2-yl-2-prop-2-enoxybutan-1-amine?
3-methyl-N-propan-2-yl-2-prop-2-enoxybutan-1-amine has a molecular weight of 185.31 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propan-2-yl-2-prop-2-enoxybutan-1-amine is sourced from PubChem (CID 62442260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).