N-(3-bromopropyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclobutanamine

C17H30BrNO — CID 102900988

IUPACN-(3-bromopropyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclobutanamine
SMILESBrCCCN(CC1CCC2(CCCCC2)O1)C1CCC1
InChIInChI=1S/C17H30BrNO/c18-12-5-13-19(15-6-4-7-15)14-16-8-11-17(20-16)9-2-1-3-10-17/h15-16H,1-14H2
InChIKeyMQDDMZHMLSAEKE-UHFFFAOYSA-N
MW344.34 g/mol
LogP4.51
Rot. Bonds6

About N-(3-bromopropyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclobutanamine

N-(3-bromopropyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclobutanamine (PubChem CID 102900988) has the molecular formula C17H30BrNO and a molecular weight of 344.34 g/mol. Its IUPAC name is N-(3-bromopropyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclobutanamine.

Molecular Properties

Compound NameN-(3-bromopropyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclobutanamine
PubChem CID102900988
Molecular FormulaC17H30BrNO
Molecular Weight344.34 g/mol
Exact Mass343.15
IUPAC NameN-(3-bromopropyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclobutanamine
SMILESBrCCCN(CC1CCC2(CCCCC2)O1)C1CCC1
InChIInChI=1S/C17H30BrNO/c18-12-5-13-19(15-6-4-7-15)14-16-8-11-17(20-16)9-2-1-3-10-17/h15-16H,1-14H2
InChIKeyMQDDMZHMLSAEKE-UHFFFAOYSA-N
XLogP4.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-cyclohexyl-N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)propane-1,3-diamine
CID 102896432
N'-cyclopentyl-N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)propane-1,3-diamine
CID 102896430
2-[cyclopropyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]ethanol
CID 102848057
N-(2-chloroethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopropanamine
CID 102900766
2-bromo-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102900869
2-[cyclopentyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]acetonitrile
CID 102898017
N-(1-oxaspiro[4.5]decan-2-ylmethyl)-N-propylazetidin-3-amine
CID 102899443
N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N-propylpyrrolidin-3-amine
CID 102899394
N-(2-chloroethyl)-2,2-difluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 107487849
2-[[1-(bromomethyl)cyclohexyl]methyl]-1-oxaspiro[4.5]decane
CID 102902155
2-[[1-(bromomethyl)cyclopentyl]methyl]-1-oxaspiro[4.5]decane
CID 102902158
1-oxaspiro[4.7]dodecan-2-ylmethanamine
CID 130583709

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclobutanamine?
The IUPAC name of N-(3-bromopropyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclobutanamine (CID 102900988) is N-(3-bromopropyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclobutanamine.
What is the SMILES notation for N-(3-bromopropyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclobutanamine?
The canonical SMILES for N-(3-bromopropyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclobutanamine is BrCCCN(CC1CCC2(CCCCC2)O1)C1CCC1.
What is the InChIKey of N-(3-bromopropyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclobutanamine?
The InChIKey is MQDDMZHMLSAEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30BrNO/c18-12-5-13-19(15-6-4-7-15)14-16-8-11-17(20-16)9-2-1-3-10-17/h15-16H,1-14H2.
What are the key properties of N-(3-bromopropyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclobutanamine?
N-(3-bromopropyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclobutanamine has a molecular weight of 344.34 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclobutanamine is sourced from PubChem (CID 102900988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).