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

C17H30ClNO — CID 102900990

IUPACN-(3-chloropropyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclobutanamine
SMILESClCCCN(CC1CCC2(CCCCC2)O1)C1CCC1
InChIInChI=1S/C17H30ClNO/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
InChIKeyYYATZJRJCJCZFJ-UHFFFAOYSA-N
MW299.89 g/mol
LogP4.35
Rot. Bonds6

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

N-(3-chloropropyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclobutanamine (PubChem CID 102900990) has the molecular formula C17H30ClNO and a molecular weight of 299.89 g/mol. Its IUPAC name is N-(3-chloropropyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclobutanamine.

Molecular Properties

Compound NameN-(3-chloropropyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclobutanamine
PubChem CID102900990
Molecular FormulaC17H30ClNO
Molecular Weight299.89 g/mol
Exact Mass299.20
IUPAC NameN-(3-chloropropyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclobutanamine
SMILESClCCCN(CC1CCC2(CCCCC2)O1)C1CCC1
InChIInChI=1S/C17H30ClNO/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
InChIKeyYYATZJRJCJCZFJ-UHFFFAOYSA-N
XLogP4.35
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.89
LogP ≤ 54.35
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

2-[Cyclobutyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]ethanol
CID 102848189
N-(3-chloropropyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]cyclobutanamine
CID 102860508
4-Chloro-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidine
CID 102900739
4-Chloro-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine
CID 102900740
3-chloro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)-N-propan-2-ylpropan-1-amine
CID 102900741
N-(2-chloroethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopentanamine
CID 102900743
N-(2-chloroethyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclopentanamine
CID 102900744
N-(2-chloroethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclohexanamine
CID 102900745
N-(2-chloroethyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexanamine
CID 102900746
2-chloro-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102900748
2-(Chloromethyl)-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidine
CID 102900749
2-chloro-N-ethyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102900753

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclobutanamine?
The IUPAC name of N-(3-chloropropyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclobutanamine (CID 102900990) is N-(3-chloropropyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclobutanamine.
What is the SMILES notation for N-(3-chloropropyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclobutanamine?
The canonical SMILES for N-(3-chloropropyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclobutanamine is ClCCCN(CC1CCC2(CCCCC2)O1)C1CCC1.
What is the InChIKey of N-(3-chloropropyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclobutanamine?
The InChIKey is YYATZJRJCJCZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30ClNO/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-chloropropyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclobutanamine?
N-(3-chloropropyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclobutanamine has a molecular weight of 299.89 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclobutanamine is sourced from PubChem (CID 102900990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).