N-(3-chloropropyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]cyclobutanamine

C14H26ClNO — CID 102860508

IUPACN-(3-chloropropyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]cyclobutanamine
SMILESCC1(C)CCC(CN(CCCCl)C2CCC2)O1
InChIInChI=1S/C14H26ClNO/c1-14(2)8-7-13(17-14)11-16(10-4-9-15)12-5-3-6-12/h12-13H,3-11H2,1-2H3
InChIKeyDMWRIBWAAQQFQY-UHFFFAOYSA-N
MW259.82 g/mol
LogP3.43
Rot. Bonds6

About N-(3-chloropropyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]cyclobutanamine

N-(3-chloropropyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]cyclobutanamine (PubChem CID 102860508) has the molecular formula C14H26ClNO and a molecular weight of 259.82 g/mol. Its IUPAC name is N-(3-chloropropyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]cyclobutanamine.

Molecular Properties

Compound NameN-(3-chloropropyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]cyclobutanamine
PubChem CID102860508
Molecular FormulaC14H26ClNO
Molecular Weight259.82 g/mol
Exact Mass259.17
IUPAC NameN-(3-chloropropyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]cyclobutanamine
SMILESCC1(C)CCC(CN(CCCCl)C2CCC2)O1
InChIInChI=1S/C14H26ClNO/c1-14(2)8-7-13(17-14)11-16(10-4-9-15)12-5-3-6-12/h12-13H,3-11H2,1-2H3
InChIKeyDMWRIBWAAQQFQY-UHFFFAOYSA-N
XLogP3.43
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.82
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-chloropropyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]cyclobutanamine 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

2-(3-Chloropropyl)-5-oxa-2-azaspiro[3.4]octane
CID 176924837
3-chloro-N-(oxolan-2-ylmethyl)-N-propan-2-ylpropan-1-amine
CID 63389318
N-[(3-chlorocyclobutyl)methyl]-N-methyl-1-(oxolan-2-yl)methanamine
CID 65997440
2-chloro-N-[(5,5-dimethyloxolan-2-yl)methyl]-N-methylcyclohexan-1-amine
CID 102637528
2-(Chloromethyl)-1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpyrrolidine
CID 102784850
N-(3-chloropropyl)-N-(oxolan-2-ylmethyl)cyclobutanamine
CID 102860419
N-(2-chloroethyl)-N-(oxolan-2-ylmethyl)cyclobutanamine
CID 102861128
N-(2-chloroethyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]cyclobutanamine
CID 102861197
N-(3-chloropropyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclobutanamine
CID 102900989
N-(3-chloropropyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclobutanamine
CID 102900990
2-(Chloromethyl)-4-[(5,5-dimethyloxolan-2-yl)methyl]-6-methylmorpholine
CID 102936620
3-chloro-N-[(5-methyloxolan-2-yl)methyl]-N-propan-2-ylpropan-1-amine
CID 103139724

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]cyclobutanamine?
The IUPAC name of N-(3-chloropropyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]cyclobutanamine (CID 102860508) is N-(3-chloropropyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]cyclobutanamine.
What is the SMILES notation for N-(3-chloropropyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]cyclobutanamine?
The canonical SMILES for N-(3-chloropropyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]cyclobutanamine is CC1(C)CCC(CN(CCCCl)C2CCC2)O1.
What is the InChIKey of N-(3-chloropropyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]cyclobutanamine?
The InChIKey is DMWRIBWAAQQFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26ClNO/c1-14(2)8-7-13(17-14)11-16(10-4-9-15)12-5-3-6-12/h12-13H,3-11H2,1-2H3.
What are the key properties of N-(3-chloropropyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]cyclobutanamine?
N-(3-chloropropyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]cyclobutanamine has a molecular weight of 259.82 g/mol, XLogP of 3.43, 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-[(5,5-dimethyloxolan-2-yl)methyl]cyclobutanamine is sourced from PubChem (CID 102860508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).