N-(1-bromo-3-methylbutan-2-yl)oxolan-3-amine

C9H18BrNO — CID 107859241

IUPACN-(1-bromo-3-methylbutan-2-yl)oxolan-3-amine
SMILESCC(C)C(CBr)NC1CCOC1
InChIInChI=1S/C9H18BrNO/c1-7(2)9(5-10)11-8-3-4-12-6-8/h7-9,11H,3-6H2,1-2H3
InChIKeyIZNIYEGPXCKBGN-UHFFFAOYSA-N
MW236.15 g/mol
LogP1.78
Rot. Bonds4

About N-(1-bromo-3-methylbutan-2-yl)oxolan-3-amine

N-(1-bromo-3-methylbutan-2-yl)oxolan-3-amine (PubChem CID 107859241) has the molecular formula C9H18BrNO and a molecular weight of 236.15 g/mol. Its IUPAC name is N-(1-bromo-3-methylbutan-2-yl)oxolan-3-amine.

Molecular Properties

Compound NameN-(1-bromo-3-methylbutan-2-yl)oxolan-3-amine
PubChem CID107859241
Molecular FormulaC9H18BrNO
Molecular Weight236.15 g/mol
Exact Mass235.06
IUPAC NameN-(1-bromo-3-methylbutan-2-yl)oxolan-3-amine
SMILESCC(C)C(CBr)NC1CCOC1
InChIInChI=1S/C9H18BrNO/c1-7(2)9(5-10)11-8-3-4-12-6-8/h7-9,11H,3-6H2,1-2H3
InChIKeyIZNIYEGPXCKBGN-UHFFFAOYSA-N
XLogP1.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.15
LogP ≤ 51.78
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-(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-(1-bromopropan-2-yl)oxolan-3-amine
CID 107859755
N-(1-methoxy-4-methylpentan-3-yl)oxan-4-amine
CID 115710262
N-[1-(2-methylpropoxy)propan-2-yl]oxolan-3-amine
CID 115689093
3-methyl-2-(oxepan-4-ylamino)butan-1-ol
CID 79254168
N-(3-cyclohexylbutan-2-yl)oxolan-3-amine
CID 115726479
(2R)-2-(oxolan-3-ylamino)butan-1-ol
CID 103922432
4-methyl-3-(oxepan-4-ylamino)pentan-1-ol
CID 103894941
N-cyclopropyl-2-(oxolan-3-ylamino)propanamide
CID 80713366
N-[1-(4-ethylphenyl)-2-methylpropyl]oxolan-3-amine
CID 119164778

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-3-methylbutan-2-yl)oxolan-3-amine?
The IUPAC name of N-(1-bromo-3-methylbutan-2-yl)oxolan-3-amine (CID 107859241) is N-(1-bromo-3-methylbutan-2-yl)oxolan-3-amine.
What is the SMILES notation for N-(1-bromo-3-methylbutan-2-yl)oxolan-3-amine?
The canonical SMILES for N-(1-bromo-3-methylbutan-2-yl)oxolan-3-amine is CC(C)C(CBr)NC1CCOC1.
What is the InChIKey of N-(1-bromo-3-methylbutan-2-yl)oxolan-3-amine?
The InChIKey is IZNIYEGPXCKBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BrNO/c1-7(2)9(5-10)11-8-3-4-12-6-8/h7-9,11H,3-6H2,1-2H3.
What are the key properties of N-(1-bromo-3-methylbutan-2-yl)oxolan-3-amine?
N-(1-bromo-3-methylbutan-2-yl)oxolan-3-amine has a molecular weight of 236.15 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-3-methylbutan-2-yl)oxolan-3-amine is sourced from PubChem (CID 107859241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).