2-[[3-(1-hydroxypropan-2-ylamino)-2,2-dimethylpropyl]amino]but-3-en-1-ol

C12H26N2O2 — CID 123985092

IUPAC2-[[3-(1-hydroxypropan-2-ylamino)-2,2-dimethylpropyl]amino]but-3-en-1-ol
SMILESC=CC(CO)NCC(C)(C)CNC(C)CO
InChIInChI=1S/C12H26N2O2/c1-5-11(7-16)14-9-12(3,4)8-13-10(2)6-15/h5,10-11,13-16H,1,6-9H2,2-4H3
InChIKeyMUJNDXAAWLSDLZ-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.12
Rot. Bonds9

About 2-[[3-(1-hydroxypropan-2-ylamino)-2,2-dimethylpropyl]amino]but-3-en-1-ol

2-[[3-(1-hydroxypropan-2-ylamino)-2,2-dimethylpropyl]amino]but-3-en-1-ol (PubChem CID 123985092) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-[[3-(1-hydroxypropan-2-ylamino)-2,2-dimethylpropyl]amino]but-3-en-1-ol.

Molecular Properties

Compound Name2-[[3-(1-hydroxypropan-2-ylamino)-2,2-dimethylpropyl]amino]but-3-en-1-ol
PubChem CID123985092
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name2-[[3-(1-hydroxypropan-2-ylamino)-2,2-dimethylpropyl]amino]but-3-en-1-ol
SMILESC=CC(CO)NCC(C)(C)CNC(C)CO
InChIInChI=1S/C12H26N2O2/c1-5-11(7-16)14-9-12(3,4)8-13-10(2)6-15/h5,10-11,13-16H,1,6-9H2,2-4H3
InChIKeyMUJNDXAAWLSDLZ-UHFFFAOYSA-N
XLogP0.12
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-[[3-(1-hydroxypropan-2-ylamino)-2,2-dimethylpropyl]amino]but-3-en-1-ol?
The IUPAC name of 2-[[3-(1-hydroxypropan-2-ylamino)-2,2-dimethylpropyl]amino]but-3-en-1-ol (CID 123985092) is 2-[[3-(1-hydroxypropan-2-ylamino)-2,2-dimethylpropyl]amino]but-3-en-1-ol.
What is the SMILES notation for 2-[[3-(1-hydroxypropan-2-ylamino)-2,2-dimethylpropyl]amino]but-3-en-1-ol?
The canonical SMILES for 2-[[3-(1-hydroxypropan-2-ylamino)-2,2-dimethylpropyl]amino]but-3-en-1-ol is C=CC(CO)NCC(C)(C)CNC(C)CO.
What is the InChIKey of 2-[[3-(1-hydroxypropan-2-ylamino)-2,2-dimethylpropyl]amino]but-3-en-1-ol?
The InChIKey is MUJNDXAAWLSDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-5-11(7-16)14-9-12(3,4)8-13-10(2)6-15/h5,10-11,13-16H,1,6-9H2,2-4H3.
What are the key properties of 2-[[3-(1-hydroxypropan-2-ylamino)-2,2-dimethylpropyl]amino]but-3-en-1-ol?
2-[[3-(1-hydroxypropan-2-ylamino)-2,2-dimethylpropyl]amino]but-3-en-1-ol has a molecular weight of 230.35 g/mol, XLogP of 0.12, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(1-hydroxypropan-2-ylamino)-2,2-dimethylpropyl]amino]but-3-en-1-ol is sourced from PubChem (CID 123985092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).