2-bromo-N-(1-oxaspiro[4.5]decan-2-ylmethyl)prop-2-en-1-amine

C13H22BrNO — CID 102897807

IUPAC2-bromo-N-(1-oxaspiro[4.5]decan-2-ylmethyl)prop-2-en-1-amine
SMILESC=C(Br)CNCC1CCC2(CCCCC2)O1
InChIInChI=1S/C13H22BrNO/c1-11(14)9-15-10-12-5-8-13(16-12)6-3-2-4-7-13/h12,15H,1-10H2
InChIKeyPITMBYRVTFSURC-UHFFFAOYSA-N
MW288.23 g/mol
LogP3.37
Rot. Bonds4

About 2-bromo-N-(1-oxaspiro[4.5]decan-2-ylmethyl)prop-2-en-1-amine

2-bromo-N-(1-oxaspiro[4.5]decan-2-ylmethyl)prop-2-en-1-amine (PubChem CID 102897807) has the molecular formula C13H22BrNO and a molecular weight of 288.23 g/mol. Its IUPAC name is 2-bromo-N-(1-oxaspiro[4.5]decan-2-ylmethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-bromo-N-(1-oxaspiro[4.5]decan-2-ylmethyl)prop-2-en-1-amine
PubChem CID102897807
Molecular FormulaC13H22BrNO
Molecular Weight288.23 g/mol
Exact Mass287.09
IUPAC Name2-bromo-N-(1-oxaspiro[4.5]decan-2-ylmethyl)prop-2-en-1-amine
SMILESC=C(Br)CNCC1CCC2(CCCCC2)O1
InChIInChI=1S/C13H22BrNO/c1-11(14)9-15-10-12-5-8-13(16-12)6-3-2-4-7-13/h12,15H,1-10H2
InChIKeyPITMBYRVTFSURC-UHFFFAOYSA-N
XLogP3.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.23
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-bromo-N-(1-oxaspiro[4.5]decan-2-ylmethyl)prop-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(1-oxaspiro[4.4]nonan-2-ylmethylamino)methyl]cyclobutan-1-ol
CID 102897450
2-bromo-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 102900965
2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)-N-propan-2-ylacetamide
CID 102896860
3-[(1-oxaspiro[4.5]decan-2-ylmethylamino)methyl]cyclohexan-1-ol
CID 106132555
N-tert-butyl-2-(1-oxaspiro[4.5]decan-2-ylmethylamino)acetamide
CID 102897648
2-cyclopropyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102897426
N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethane-1,2-diamine
CID 102897171
2-chloro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine
CID 102900792
2,2-dimethyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-1-amine
CID 102896955
1-(1-oxaspiro[4.4]nonan-2-yl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanamine
CID 102897479
N-(2-methoxyethyl)-2-(1-oxaspiro[4.5]decan-2-ylmethylamino)acetamide
CID 102897739
2-methoxy-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102896547

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1-oxaspiro[4.5]decan-2-ylmethyl)prop-2-en-1-amine?
The IUPAC name of 2-bromo-N-(1-oxaspiro[4.5]decan-2-ylmethyl)prop-2-en-1-amine (CID 102897807) is 2-bromo-N-(1-oxaspiro[4.5]decan-2-ylmethyl)prop-2-en-1-amine.
What is the SMILES notation for 2-bromo-N-(1-oxaspiro[4.5]decan-2-ylmethyl)prop-2-en-1-amine?
The canonical SMILES for 2-bromo-N-(1-oxaspiro[4.5]decan-2-ylmethyl)prop-2-en-1-amine is C=C(Br)CNCC1CCC2(CCCCC2)O1.
What is the InChIKey of 2-bromo-N-(1-oxaspiro[4.5]decan-2-ylmethyl)prop-2-en-1-amine?
The InChIKey is PITMBYRVTFSURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrNO/c1-11(14)9-15-10-12-5-8-13(16-12)6-3-2-4-7-13/h12,15H,1-10H2.
What are the key properties of 2-bromo-N-(1-oxaspiro[4.5]decan-2-ylmethyl)prop-2-en-1-amine?
2-bromo-N-(1-oxaspiro[4.5]decan-2-ylmethyl)prop-2-en-1-amine has a molecular weight of 288.23 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1-oxaspiro[4.5]decan-2-ylmethyl)prop-2-en-1-amine is sourced from PubChem (CID 102897807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).