1-(buta-1,3-dien-2-ylamino)-2-methylpropan-2-ol

C8H15NO — CID 167493116

IUPAC1-(buta-1,3-dien-2-ylamino)-2-methylpropan-2-ol
SMILESC=CC(=C)NCC(C)(C)O
InChIInChI=1S/C8H15NO/c1-5-7(2)9-6-8(3,4)10/h5,9-10H,1-2,6H2,3-4H3
InChIKeyYPDUJYLKTCKEAM-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.05
Rot. Bonds4

About 1-(buta-1,3-dien-2-ylamino)-2-methylpropan-2-ol

1-(buta-1,3-dien-2-ylamino)-2-methylpropan-2-ol (PubChem CID 167493116) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 1-(buta-1,3-dien-2-ylamino)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(buta-1,3-dien-2-ylamino)-2-methylpropan-2-ol
PubChem CID167493116
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name1-(buta-1,3-dien-2-ylamino)-2-methylpropan-2-ol
SMILESC=CC(=C)NCC(C)(C)O
InChIInChI=1S/C8H15NO/c1-5-7(2)9-6-8(3,4)10/h5,9-10H,1-2,6H2,3-4H3
InChIKeyYPDUJYLKTCKEAM-UHFFFAOYSA-N
XLogP1.05
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.05
H-Bond Donors ≤ 52
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 1-(buta-1,3-dien-2-ylamino)-2-methylpropan-2-ol?
The IUPAC name of 1-(buta-1,3-dien-2-ylamino)-2-methylpropan-2-ol (CID 167493116) is 1-(buta-1,3-dien-2-ylamino)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(buta-1,3-dien-2-ylamino)-2-methylpropan-2-ol?
The canonical SMILES for 1-(buta-1,3-dien-2-ylamino)-2-methylpropan-2-ol is C=CC(=C)NCC(C)(C)O.
What is the InChIKey of 1-(buta-1,3-dien-2-ylamino)-2-methylpropan-2-ol?
The InChIKey is YPDUJYLKTCKEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-5-7(2)9-6-8(3,4)10/h5,9-10H,1-2,6H2,3-4H3.
What are the key properties of 1-(buta-1,3-dien-2-ylamino)-2-methylpropan-2-ol?
1-(buta-1,3-dien-2-ylamino)-2-methylpropan-2-ol has a molecular weight of 141.21 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(buta-1,3-dien-2-ylamino)-2-methylpropan-2-ol is sourced from PubChem (CID 167493116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).