N-(2-bromoethyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine

C16H30BrNO — CID 102900863

IUPACN-(2-bromoethyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine
SMILESCCCCN(CCBr)CC1CCC2(CCCCC2)O1
InChIInChI=1S/C16H30BrNO/c1-2-3-12-18(13-11-17)14-15-7-10-16(19-15)8-5-4-6-9-16/h15H,2-14H2,1H3
InChIKeyRSHXTVWWBYERLU-UHFFFAOYSA-N
MW332.33 g/mol
LogP4.37
Rot. Bonds7

About N-(2-bromoethyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine

N-(2-bromoethyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine (PubChem CID 102900863) has the molecular formula C16H30BrNO and a molecular weight of 332.33 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine
PubChem CID102900863
Molecular FormulaC16H30BrNO
Molecular Weight332.33 g/mol
Exact Mass331.15
IUPAC NameN-(2-bromoethyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine
SMILESCCCCN(CCBr)CC1CCC2(CCCCC2)O1
InChIInChI=1S/C16H30BrNO/c1-2-3-12-18(13-11-17)14-15-7-10-16(19-15)8-5-4-6-9-16/h15H,2-14H2,1H3
InChIKeyRSHXTVWWBYERLU-UHFFFAOYSA-N
XLogP4.37
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-bromoethyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-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

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine?
The IUPAC name of N-(2-bromoethyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine (CID 102900863) is N-(2-bromoethyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine.
What is the SMILES notation for N-(2-bromoethyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine?
The canonical SMILES for N-(2-bromoethyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine is CCCCN(CCBr)CC1CCC2(CCCCC2)O1.
What is the InChIKey of N-(2-bromoethyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine?
The InChIKey is RSHXTVWWBYERLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30BrNO/c1-2-3-12-18(13-11-17)14-15-7-10-16(19-15)8-5-4-6-9-16/h15H,2-14H2,1H3.
What are the key properties of N-(2-bromoethyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine?
N-(2-bromoethyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine has a molecular weight of 332.33 g/mol, XLogP of 4.37, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine is sourced from PubChem (CID 102900863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).