2-[methyl(3-methylbuta-1,3-dien-2-yl)amino]ethanol

C8H15NO — CID 139475971

IUPAC2-[methyl(3-methylbuta-1,3-dien-2-yl)amino]ethanol
SMILESC=C(C)C(=C)N(C)CCO
InChIInChI=1S/C8H15NO/c1-7(2)8(3)9(4)5-6-10/h10H,1,3,5-6H2,2,4H3
InChIKeyWPGKNTCONJOPIT-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.00
Rot. Bonds4

About 2-[methyl(3-methylbuta-1,3-dien-2-yl)amino]ethanol

2-[methyl(3-methylbuta-1,3-dien-2-yl)amino]ethanol (PubChem CID 139475971) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2-[methyl(3-methylbuta-1,3-dien-2-yl)amino]ethanol.

Molecular Properties

Compound Name2-[methyl(3-methylbuta-1,3-dien-2-yl)amino]ethanol
PubChem CID139475971
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2-[methyl(3-methylbuta-1,3-dien-2-yl)amino]ethanol
SMILESC=C(C)C(=C)N(C)CCO
InChIInChI=1S/C8H15NO/c1-7(2)8(3)9(4)5-6-10/h10H,1,3,5-6H2,2,4H3
InChIKeyWPGKNTCONJOPIT-UHFFFAOYSA-N
XLogP1.00
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(3-methylbuta-1,3-dien-2-yl)amino]ethanol?
The IUPAC name of 2-[methyl(3-methylbuta-1,3-dien-2-yl)amino]ethanol (CID 139475971) is 2-[methyl(3-methylbuta-1,3-dien-2-yl)amino]ethanol.
What is the SMILES notation for 2-[methyl(3-methylbuta-1,3-dien-2-yl)amino]ethanol?
The canonical SMILES for 2-[methyl(3-methylbuta-1,3-dien-2-yl)amino]ethanol is C=C(C)C(=C)N(C)CCO.
What is the InChIKey of 2-[methyl(3-methylbuta-1,3-dien-2-yl)amino]ethanol?
The InChIKey is WPGKNTCONJOPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-7(2)8(3)9(4)5-6-10/h10H,1,3,5-6H2,2,4H3.
What are the key properties of 2-[methyl(3-methylbuta-1,3-dien-2-yl)amino]ethanol?
2-[methyl(3-methylbuta-1,3-dien-2-yl)amino]ethanol has a molecular weight of 141.21 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(3-methylbuta-1,3-dien-2-yl)amino]ethanol is sourced from PubChem (CID 139475971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).