4-(chloromethyl)-N-(3-methoxypropyl)oxan-4-amine

C10H20ClNO2 — CID 106299769

IUPAC4-(chloromethyl)-N-(3-methoxypropyl)oxan-4-amine
SMILESCOCCCNC1(CCl)CCOCC1
InChIInChI=1S/C10H20ClNO2/c1-13-6-2-5-12-10(9-11)3-7-14-8-4-10/h12H,2-9H2,1H3
InChIKeyPEUZENCDTDMLOX-UHFFFAOYSA-N
MW221.73 g/mol
LogP1.40
Rot. Bonds6

About 4-(chloromethyl)-N-(3-methoxypropyl)oxan-4-amine

4-(chloromethyl)-N-(3-methoxypropyl)oxan-4-amine (PubChem CID 106299769) has the molecular formula C10H20ClNO2 and a molecular weight of 221.73 g/mol. Its IUPAC name is 4-(chloromethyl)-N-(3-methoxypropyl)oxan-4-amine.

Molecular Properties

Compound Name4-(chloromethyl)-N-(3-methoxypropyl)oxan-4-amine
PubChem CID106299769
Molecular FormulaC10H20ClNO2
Molecular Weight221.73 g/mol
Exact Mass221.12
IUPAC Name4-(chloromethyl)-N-(3-methoxypropyl)oxan-4-amine
SMILESCOCCCNC1(CCl)CCOCC1
InChIInChI=1S/C10H20ClNO2/c1-13-6-2-5-12-10(9-11)3-7-14-8-4-10/h12H,2-9H2,1H3
InChIKeyPEUZENCDTDMLOX-UHFFFAOYSA-N
XLogP1.40
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-(3-methoxypropyl)oxan-4-amine?
The IUPAC name of 4-(chloromethyl)-N-(3-methoxypropyl)oxan-4-amine (CID 106299769) is 4-(chloromethyl)-N-(3-methoxypropyl)oxan-4-amine.
What is the SMILES notation for 4-(chloromethyl)-N-(3-methoxypropyl)oxan-4-amine?
The canonical SMILES for 4-(chloromethyl)-N-(3-methoxypropyl)oxan-4-amine is COCCCNC1(CCl)CCOCC1.
What is the InChIKey of 4-(chloromethyl)-N-(3-methoxypropyl)oxan-4-amine?
The InChIKey is PEUZENCDTDMLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO2/c1-13-6-2-5-12-10(9-11)3-7-14-8-4-10/h12H,2-9H2,1H3.
What are the key properties of 4-(chloromethyl)-N-(3-methoxypropyl)oxan-4-amine?
4-(chloromethyl)-N-(3-methoxypropyl)oxan-4-amine has a molecular weight of 221.73 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-(3-methoxypropyl)oxan-4-amine is sourced from PubChem (CID 106299769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).