2-methyl-2-[(prop-2-enylamino)methyl]butan-1-ol

C9H19NO — CID 81412182

IUPAC2-methyl-2-[(prop-2-enylamino)methyl]butan-1-ol
SMILESC=CCNCC(C)(CC)CO
InChIInChI=1S/C9H19NO/c1-4-6-10-7-9(3,5-2)8-11/h4,10-11H,1,5-8H2,2-3H3
InChIKeyOOVMPMGKJFZVJC-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.17
Rot. Bonds6

About 2-methyl-2-[(prop-2-enylamino)methyl]butan-1-ol

2-methyl-2-[(prop-2-enylamino)methyl]butan-1-ol (PubChem CID 81412182) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2-methyl-2-[(prop-2-enylamino)methyl]butan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[(prop-2-enylamino)methyl]butan-1-ol
PubChem CID81412182
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2-methyl-2-[(prop-2-enylamino)methyl]butan-1-ol
SMILESC=CCNCC(C)(CC)CO
InChIInChI=1S/C9H19NO/c1-4-6-10-7-9(3,5-2)8-11/h4,10-11H,1,5-8H2,2-3H3
InChIKeyOOVMPMGKJFZVJC-UHFFFAOYSA-N
XLogP1.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.17
H-Bond Donors ≤ 52
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 2-methyl-2-[(prop-2-enylamino)methyl]butan-1-ol?
The IUPAC name of 2-methyl-2-[(prop-2-enylamino)methyl]butan-1-ol (CID 81412182) is 2-methyl-2-[(prop-2-enylamino)methyl]butan-1-ol.
What is the SMILES notation for 2-methyl-2-[(prop-2-enylamino)methyl]butan-1-ol?
The canonical SMILES for 2-methyl-2-[(prop-2-enylamino)methyl]butan-1-ol is C=CCNCC(C)(CC)CO.
What is the InChIKey of 2-methyl-2-[(prop-2-enylamino)methyl]butan-1-ol?
The InChIKey is OOVMPMGKJFZVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-4-6-10-7-9(3,5-2)8-11/h4,10-11H,1,5-8H2,2-3H3.
What are the key properties of 2-methyl-2-[(prop-2-enylamino)methyl]butan-1-ol?
2-methyl-2-[(prop-2-enylamino)methyl]butan-1-ol has a molecular weight of 157.26 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(prop-2-enylamino)methyl]butan-1-ol is sourced from PubChem (CID 81412182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).