1-bromo-3-[butyl(cyclopropyl)amino]propan-2-ol

C10H20BrNO — CID 112561399

IUPAC1-bromo-3-[butyl(cyclopropyl)amino]propan-2-ol
SMILESCCCCN(CC(O)CBr)C1CC1
InChIInChI=1S/C10H20BrNO/c1-2-3-6-12(9-4-5-9)8-10(13)7-11/h9-10,13H,2-8H2,1H3
InChIKeyMZZPTTLFHOZLFQ-UHFFFAOYSA-N
MW250.18 g/mol
LogP2.01
Rot. Bonds7

About 1-bromo-3-[butyl(cyclopropyl)amino]propan-2-ol

1-bromo-3-[butyl(cyclopropyl)amino]propan-2-ol (PubChem CID 112561399) has the molecular formula C10H20BrNO and a molecular weight of 250.18 g/mol. Its IUPAC name is 1-bromo-3-[butyl(cyclopropyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-bromo-3-[butyl(cyclopropyl)amino]propan-2-ol
PubChem CID112561399
Molecular FormulaC10H20BrNO
Molecular Weight250.18 g/mol
Exact Mass249.07
IUPAC Name1-bromo-3-[butyl(cyclopropyl)amino]propan-2-ol
SMILESCCCCN(CC(O)CBr)C1CC1
InChIInChI=1S/C10H20BrNO/c1-2-3-6-12(9-4-5-9)8-10(13)7-11/h9-10,13H,2-8H2,1H3
InChIKeyMZZPTTLFHOZLFQ-UHFFFAOYSA-N
XLogP2.01
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.18
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[butyl(cyclopropyl)amino]propan-2-ol?
The IUPAC name of 1-bromo-3-[butyl(cyclopropyl)amino]propan-2-ol (CID 112561399) is 1-bromo-3-[butyl(cyclopropyl)amino]propan-2-ol.
What is the SMILES notation for 1-bromo-3-[butyl(cyclopropyl)amino]propan-2-ol?
The canonical SMILES for 1-bromo-3-[butyl(cyclopropyl)amino]propan-2-ol is CCCCN(CC(O)CBr)C1CC1.
What is the InChIKey of 1-bromo-3-[butyl(cyclopropyl)amino]propan-2-ol?
The InChIKey is MZZPTTLFHOZLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNO/c1-2-3-6-12(9-4-5-9)8-10(13)7-11/h9-10,13H,2-8H2,1H3.
What are the key properties of 1-bromo-3-[butyl(cyclopropyl)amino]propan-2-ol?
1-bromo-3-[butyl(cyclopropyl)amino]propan-2-ol has a molecular weight of 250.18 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[butyl(cyclopropyl)amino]propan-2-ol is sourced from PubChem (CID 112561399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).