N-(1-bromopropan-2-yl)oxolan-3-amine

C7H14BrNO — CID 107859755

IUPACN-(1-bromopropan-2-yl)oxolan-3-amine
SMILESCC(CBr)NC1CCOC1
InChIInChI=1S/C7H14BrNO/c1-6(4-8)9-7-2-3-10-5-7/h6-7,9H,2-5H2,1H3
InChIKeyMOZPYUDUGQSLNF-UHFFFAOYSA-N
MW208.10 g/mol
LogP1.15
Rot. Bonds3

About N-(1-bromopropan-2-yl)oxolan-3-amine

N-(1-bromopropan-2-yl)oxolan-3-amine (PubChem CID 107859755) has the molecular formula C7H14BrNO and a molecular weight of 208.10 g/mol. Its IUPAC name is N-(1-bromopropan-2-yl)oxolan-3-amine.

Molecular Properties

Compound NameN-(1-bromopropan-2-yl)oxolan-3-amine
PubChem CID107859755
Molecular FormulaC7H14BrNO
Molecular Weight208.10 g/mol
Exact Mass207.03
IUPAC NameN-(1-bromopropan-2-yl)oxolan-3-amine
SMILESCC(CBr)NC1CCOC1
InChIInChI=1S/C7H14BrNO/c1-6(4-8)9-7-2-3-10-5-7/h6-7,9H,2-5H2,1H3
InChIKeyMOZPYUDUGQSLNF-UHFFFAOYSA-N
XLogP1.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.10
LogP ≤ 51.15
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

N-(1-bromo-3-methylbutan-2-yl)oxolan-3-amine
CID 107859241
N-[1-(2-methylpropoxy)propan-2-yl]oxolan-3-amine
CID 115689093
N-(2-methylpentan-3-yl)oxolan-3-amine
CID 63335155
3-methyl-2-(oxolan-3-ylamino)butan-1-ol
CID 79254853
N-(1-chloro-3-methylbutan-2-yl)oxolan-3-amine
CID 79244715
N-(4-phenylbutan-2-yl)oxolan-3-amine
CID 63331840
(3R)-3-(oxan-3-ylamino)butan-1-ol
CID 103871769
N-(3-cyclohexylbutan-2-yl)oxolan-3-amine
CID 115726479
(3R)-N-[(2S)-1-(2,6-dimethylphenoxy)propan-2-yl]oxolan-3-amine
CID 99849083
(2R)-2-(oxolan-3-ylamino)butan-1-ol
CID 103922432
N-(1-cyclopropylpropan-2-yl)oxan-4-amine
CID 63989117
1-[3-(oxolan-3-ylamino)butyl]pyrrolidin-2-one
CID 115718781

Frequently Asked Questions

What is the IUPAC name of N-(1-bromopropan-2-yl)oxolan-3-amine?
The IUPAC name of N-(1-bromopropan-2-yl)oxolan-3-amine (CID 107859755) is N-(1-bromopropan-2-yl)oxolan-3-amine.
What is the SMILES notation for N-(1-bromopropan-2-yl)oxolan-3-amine?
The canonical SMILES for N-(1-bromopropan-2-yl)oxolan-3-amine is CC(CBr)NC1CCOC1.
What is the InChIKey of N-(1-bromopropan-2-yl)oxolan-3-amine?
The InChIKey is MOZPYUDUGQSLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14BrNO/c1-6(4-8)9-7-2-3-10-5-7/h6-7,9H,2-5H2,1H3.
What are the key properties of N-(1-bromopropan-2-yl)oxolan-3-amine?
N-(1-bromopropan-2-yl)oxolan-3-amine has a molecular weight of 208.10 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromopropan-2-yl)oxolan-3-amine is sourced from PubChem (CID 107859755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).