2-methyl-1-(2-methylprop-2-enylamino)butan-2-ol

C9H19NO — CID 65111138

IUPAC2-methyl-1-(2-methylprop-2-enylamino)butan-2-ol
SMILESC=C(C)CNCC(C)(O)CC
InChIInChI=1S/C9H19NO/c1-5-9(4,11)7-10-6-8(2)3/h10-11H,2,5-7H2,1,3-4H3
InChIKeySWZQHQQYYAWPEH-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.31
Rot. Bonds5

About 2-methyl-1-(2-methylprop-2-enylamino)butan-2-ol

2-methyl-1-(2-methylprop-2-enylamino)butan-2-ol (PubChem CID 65111138) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2-methyl-1-(2-methylprop-2-enylamino)butan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(2-methylprop-2-enylamino)butan-2-ol
PubChem CID65111138
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2-methyl-1-(2-methylprop-2-enylamino)butan-2-ol
SMILESC=C(C)CNCC(C)(O)CC
InChIInChI=1S/C9H19NO/c1-5-9(4,11)7-10-6-8(2)3/h10-11H,2,5-7H2,1,3-4H3
InChIKeySWZQHQQYYAWPEH-UHFFFAOYSA-N
XLogP1.31
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.31
H-Bond Donors ≤ 52
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 2-methyl-1-(2-methylprop-2-enylamino)butan-2-ol?
The IUPAC name of 2-methyl-1-(2-methylprop-2-enylamino)butan-2-ol (CID 65111138) is 2-methyl-1-(2-methylprop-2-enylamino)butan-2-ol.
What is the SMILES notation for 2-methyl-1-(2-methylprop-2-enylamino)butan-2-ol?
The canonical SMILES for 2-methyl-1-(2-methylprop-2-enylamino)butan-2-ol is C=C(C)CNCC(C)(O)CC.
What is the InChIKey of 2-methyl-1-(2-methylprop-2-enylamino)butan-2-ol?
The InChIKey is SWZQHQQYYAWPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-5-9(4,11)7-10-6-8(2)3/h10-11H,2,5-7H2,1,3-4H3.
What are the key properties of 2-methyl-1-(2-methylprop-2-enylamino)butan-2-ol?
2-methyl-1-(2-methylprop-2-enylamino)butan-2-ol has a molecular weight of 157.26 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylprop-2-enylamino)butan-2-ol is sourced from PubChem (CID 65111138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).