N-(3-chloropropyl)-N-methyloxolan-3-amine

C8H16ClNO — CID 82747859

IUPACN-(3-chloropropyl)-N-methyloxolan-3-amine
SMILESCN(CCCCl)C1CCOC1
InChIInChI=1S/C8H16ClNO/c1-10(5-2-4-9)8-3-6-11-7-8/h8H,2-7H2,1H3
InChIKeyLDGYHWVKOTXNGH-UHFFFAOYSA-N
MW177.67 g/mol
LogP1.34
Rot. Bonds4

About N-(3-chloropropyl)-N-methyloxolan-3-amine

N-(3-chloropropyl)-N-methyloxolan-3-amine (PubChem CID 82747859) has the molecular formula C8H16ClNO and a molecular weight of 177.67 g/mol. Its IUPAC name is N-(3-chloropropyl)-N-methyloxolan-3-amine.

Molecular Properties

Compound NameN-(3-chloropropyl)-N-methyloxolan-3-amine
PubChem CID82747859
Molecular FormulaC8H16ClNO
Molecular Weight177.67 g/mol
Exact Mass177.09
IUPAC NameN-(3-chloropropyl)-N-methyloxolan-3-amine
SMILESCN(CCCCl)C1CCOC1
InChIInChI=1S/C8H16ClNO/c1-10(5-2-4-9)8-3-6-11-7-8/h8H,2-7H2,1H3
InChIKeyLDGYHWVKOTXNGH-UHFFFAOYSA-N
XLogP1.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.67
LogP ≤ 51.34
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-butyl-N-methyloxolan-3-amine
CID 154189060
N-(9-bromononyl)-N-methyloxolan-3-amine
CID 105343849
N-cyclopentyl-N'-methyl-N'-(oxolan-3-yl)propane-1,3-diamine
CID 82753838
N-tert-butyl-N'-methyl-N'-(oxolan-3-yl)propane-1,3-diamine
CID 82735583
N',2-dimethyl-N'-(oxolan-3-yl)pentane-1,5-diamine
CID 82739452
N-tert-butyl-N'-methyl-N'-(oxolan-3-yl)butane-1,4-diamine
CID 82754356
N'-methyl-N'-(oxolan-3-yl)-N-propan-2-ylpentane-1,5-diamine
CID 82754082
N,N'-dimethyl-N,N'-bis[(3S)-oxolan-3-yl]but-2-yne-1,4-diamine
CID 124729941
N'-methyl-N'-(oxolan-3-yl)-N-prop-2-enylethane-1,2-diamine
CID 82739917
2-amino-2-methyl-5-[methyl(oxolan-3-yl)amino]pentanenitrile
CID 82749419
6-[methyl(oxolan-3-yl)amino]hexanehydrazide
CID 82753777
2-[methyl(oxolan-3-yl)amino]acetaldehyde
CID 82742163

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-N-methyloxolan-3-amine?
The IUPAC name of N-(3-chloropropyl)-N-methyloxolan-3-amine (CID 82747859) is N-(3-chloropropyl)-N-methyloxolan-3-amine.
What is the SMILES notation for N-(3-chloropropyl)-N-methyloxolan-3-amine?
The canonical SMILES for N-(3-chloropropyl)-N-methyloxolan-3-amine is CN(CCCCl)C1CCOC1.
What is the InChIKey of N-(3-chloropropyl)-N-methyloxolan-3-amine?
The InChIKey is LDGYHWVKOTXNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO/c1-10(5-2-4-9)8-3-6-11-7-8/h8H,2-7H2,1H3.
What are the key properties of N-(3-chloropropyl)-N-methyloxolan-3-amine?
N-(3-chloropropyl)-N-methyloxolan-3-amine has a molecular weight of 177.67 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-N-methyloxolan-3-amine is sourced from PubChem (CID 82747859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).