(2R)-1-butoxy-3-(prop-2-enylamino)propan-2-ol

C10H21NO2 — CID 118033671

IUPAC(2R)-1-butoxy-3-(prop-2-enylamino)propan-2-ol
SMILESC=CCNC[C@@H](O)COCCCC
InChIInChI=1S/C10H21NO2/c1-3-5-7-13-9-10(12)8-11-6-4-2/h4,10-12H,2-3,5-9H2,1H3/t10-/m1/s1
InChIKeyOOFGWWVDQHTUAT-SNVBAGLBSA-N
MW187.28 g/mol
LogP0.94
Rot. Bonds9

About (2R)-1-butoxy-3-(prop-2-enylamino)propan-2-ol

(2R)-1-butoxy-3-(prop-2-enylamino)propan-2-ol (PubChem CID 118033671) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is (2R)-1-butoxy-3-(prop-2-enylamino)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-butoxy-3-(prop-2-enylamino)propan-2-ol
PubChem CID118033671
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name(2R)-1-butoxy-3-(prop-2-enylamino)propan-2-ol
SMILESC=CCNC[C@@H](O)COCCCC
InChIInChI=1S/C10H21NO2/c1-3-5-7-13-9-10(12)8-11-6-4-2/h4,10-12H,2-3,5-9H2,1H3/t10-/m1/s1
InChIKeyOOFGWWVDQHTUAT-SNVBAGLBSA-N
XLogP0.94
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 96205
CID 96205
CID 3067042
CID 3067042
CID 14495129
CID 14495129
CID 316364
CID 316364
CID 4075796
CID 4075796
CID 295412
CID 295412
CID 43267657
CID 43267657
CID 3152610
CID 3152610
CID 12521259
CID 12521259
CID 14691782
CID 14691782
CID 15323045
CID 15323045
CID 18920477
CID 18920477

Frequently Asked Questions

What is the IUPAC name of (2R)-1-butoxy-3-(prop-2-enylamino)propan-2-ol?
The IUPAC name of (2R)-1-butoxy-3-(prop-2-enylamino)propan-2-ol (CID 118033671) is (2R)-1-butoxy-3-(prop-2-enylamino)propan-2-ol.
What is the SMILES notation for (2R)-1-butoxy-3-(prop-2-enylamino)propan-2-ol?
The canonical SMILES for (2R)-1-butoxy-3-(prop-2-enylamino)propan-2-ol is C=CCNC[C@@H](O)COCCCC.
What is the InChIKey of (2R)-1-butoxy-3-(prop-2-enylamino)propan-2-ol?
The InChIKey is OOFGWWVDQHTUAT-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H21NO2/c1-3-5-7-13-9-10(12)8-11-6-4-2/h4,10-12H,2-3,5-9H2,1H3/t10-/m1/s1.
What are the key properties of (2R)-1-butoxy-3-(prop-2-enylamino)propan-2-ol?
(2R)-1-butoxy-3-(prop-2-enylamino)propan-2-ol has a molecular weight of 187.28 g/mol, XLogP of 0.94, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-butoxy-3-(prop-2-enylamino)propan-2-ol is sourced from PubChem (CID 118033671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).