3-methyl-N-(2-prop-2-enoxypropyl)butan-1-amine

C11H23NO — CID 62571911

IUPAC3-methyl-N-(2-prop-2-enoxypropyl)butan-1-amine
SMILESC=CCOC(C)CNCCC(C)C
InChIInChI=1S/C11H23NO/c1-5-8-13-11(4)9-12-7-6-10(2)3/h5,10-12H,1,6-9H2,2-4H3
InChIKeyMRZLBXYLRNYGKT-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.21
Rot. Bonds8

About 3-methyl-N-(2-prop-2-enoxypropyl)butan-1-amine

3-methyl-N-(2-prop-2-enoxypropyl)butan-1-amine (PubChem CID 62571911) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 3-methyl-N-(2-prop-2-enoxypropyl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-N-(2-prop-2-enoxypropyl)butan-1-amine
PubChem CID62571911
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name3-methyl-N-(2-prop-2-enoxypropyl)butan-1-amine
SMILESC=CCOC(C)CNCCC(C)C
InChIInChI=1S/C11H23NO/c1-5-8-13-11(4)9-12-7-6-10(2)3/h5,10-12H,1,6-9H2,2-4H3
InChIKeyMRZLBXYLRNYGKT-UHFFFAOYSA-N
XLogP2.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-prop-2-enoxypropyl)butan-1-amine?
The IUPAC name of 3-methyl-N-(2-prop-2-enoxypropyl)butan-1-amine (CID 62571911) is 3-methyl-N-(2-prop-2-enoxypropyl)butan-1-amine.
What is the SMILES notation for 3-methyl-N-(2-prop-2-enoxypropyl)butan-1-amine?
The canonical SMILES for 3-methyl-N-(2-prop-2-enoxypropyl)butan-1-amine is C=CCOC(C)CNCCC(C)C.
What is the InChIKey of 3-methyl-N-(2-prop-2-enoxypropyl)butan-1-amine?
The InChIKey is MRZLBXYLRNYGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-5-8-13-11(4)9-12-7-6-10(2)3/h5,10-12H,1,6-9H2,2-4H3.
What are the key properties of 3-methyl-N-(2-prop-2-enoxypropyl)butan-1-amine?
3-methyl-N-(2-prop-2-enoxypropyl)butan-1-amine has a molecular weight of 185.31 g/mol, XLogP of 2.21, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-prop-2-enoxypropyl)butan-1-amine is sourced from PubChem (CID 62571911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).