1-bromo-N-[2-(oxolan-2-yl)ethyl]propan-2-amine

C9H18BrNO — CID 107859707

IUPAC1-bromo-N-[2-(oxolan-2-yl)ethyl]propan-2-amine
SMILESCC(CBr)NCCC1CCCO1
InChIInChI=1S/C9H18BrNO/c1-8(7-10)11-5-4-9-3-2-6-12-9/h8-9,11H,2-7H2,1H3
InChIKeyRTBWSNOQOAQXBC-UHFFFAOYSA-N
MW236.15 g/mol
LogP1.93
Rot. Bonds5

About 1-bromo-N-[2-(oxolan-2-yl)ethyl]propan-2-amine

1-bromo-N-[2-(oxolan-2-yl)ethyl]propan-2-amine (PubChem CID 107859707) has the molecular formula C9H18BrNO and a molecular weight of 236.15 g/mol. Its IUPAC name is 1-bromo-N-[2-(oxolan-2-yl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-bromo-N-[2-(oxolan-2-yl)ethyl]propan-2-amine
PubChem CID107859707
Molecular FormulaC9H18BrNO
Molecular Weight236.15 g/mol
Exact Mass235.06
IUPAC Name1-bromo-N-[2-(oxolan-2-yl)ethyl]propan-2-amine
SMILESCC(CBr)NCCC1CCCO1
InChIInChI=1S/C9H18BrNO/c1-8(7-10)11-5-4-9-3-2-6-12-9/h8-9,11H,2-7H2,1H3
InChIKeyRTBWSNOQOAQXBC-UHFFFAOYSA-N
XLogP1.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.15
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-N-[2-(oxolan-2-yl)ethyl]heptan-2-amine
CID 65163408
3,3-dimethyl-N-[2-(oxolan-2-yl)ethyl]butan-2-amine
CID 115708972
(1S)-1-cyclohexyl-N-[2-[(2S)-oxolan-2-yl]ethyl]ethanamine
CID 93468404
(2R)-2-N-[3-(oxolan-2-yl)propyl]propane-1,2-diamine
CID 104868334
N-methyl-2-[2-(oxolan-2-yl)ethylamino]propanamide
CID 61038745
5-(oxolan-2-yl)-N-propan-2-ylpentan-1-amine
CID 65166491
1-chloro-N-[2-(oxolan-2-yl)ethyl]butan-2-amine
CID 65165393
(1S)-N-[2-(oxolan-2-yl)ethyl]-1-phenylethanamine
CID 65163698
1-N,1-N,4-trimethyl-2-N-[2-(oxolan-2-yl)ethyl]pentane-1,2-diamine
CID 65164114
tert-butyl N-[(2R,4R)-4-[2-[(2R)-oxolan-2-yl]ethylamino]pentan-2-yl]carbamate
CID 124856782
N-[3-(oxolan-2-yl)propyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 65163462
N-[2-(oxolan-2-yl)ethyl]undecan-6-amine
CID 63452863

Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-[2-(oxolan-2-yl)ethyl]propan-2-amine?
The IUPAC name of 1-bromo-N-[2-(oxolan-2-yl)ethyl]propan-2-amine (CID 107859707) is 1-bromo-N-[2-(oxolan-2-yl)ethyl]propan-2-amine.
What is the SMILES notation for 1-bromo-N-[2-(oxolan-2-yl)ethyl]propan-2-amine?
The canonical SMILES for 1-bromo-N-[2-(oxolan-2-yl)ethyl]propan-2-amine is CC(CBr)NCCC1CCCO1.
What is the InChIKey of 1-bromo-N-[2-(oxolan-2-yl)ethyl]propan-2-amine?
The InChIKey is RTBWSNOQOAQXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BrNO/c1-8(7-10)11-5-4-9-3-2-6-12-9/h8-9,11H,2-7H2,1H3.
What are the key properties of 1-bromo-N-[2-(oxolan-2-yl)ethyl]propan-2-amine?
1-bromo-N-[2-(oxolan-2-yl)ethyl]propan-2-amine has a molecular weight of 236.15 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-[2-(oxolan-2-yl)ethyl]propan-2-amine is sourced from PubChem (CID 107859707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).