5-chloro-N-methyl-N-(oxan-2-ylmethyl)pentan-1-amine

C12H24ClNO — CID 61436139

IUPAC5-chloro-N-methyl-N-(oxan-2-ylmethyl)pentan-1-amine
SMILESCN(CCCCCCl)CC1CCCCO1
InChIInChI=1S/C12H24ClNO/c1-14(9-5-2-4-8-13)11-12-7-3-6-10-15-12/h12H,2-11H2,1H3
InChIKeyOYUMQMFSEFBOSB-UHFFFAOYSA-N
MW233.78 g/mol
LogP2.90
Rot. Bonds7

About 5-chloro-N-methyl-N-(oxan-2-ylmethyl)pentan-1-amine

5-chloro-N-methyl-N-(oxan-2-ylmethyl)pentan-1-amine (PubChem CID 61436139) has the molecular formula C12H24ClNO and a molecular weight of 233.78 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-(oxan-2-ylmethyl)pentan-1-amine.

Molecular Properties

Compound Name5-chloro-N-methyl-N-(oxan-2-ylmethyl)pentan-1-amine
PubChem CID61436139
Molecular FormulaC12H24ClNO
Molecular Weight233.78 g/mol
Exact Mass233.15
IUPAC Name5-chloro-N-methyl-N-(oxan-2-ylmethyl)pentan-1-amine
SMILESCN(CCCCCCl)CC1CCCCO1
InChIInChI=1S/C12H24ClNO/c1-14(9-5-2-4-8-13)11-12-7-3-6-10-15-12/h12H,2-11H2,1H3
InChIKeyOYUMQMFSEFBOSB-UHFFFAOYSA-N
XLogP2.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.78
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 5-chloro-N-methyl-N-(oxan-2-ylmethyl)pentan-1-amine?
The IUPAC name of 5-chloro-N-methyl-N-(oxan-2-ylmethyl)pentan-1-amine (CID 61436139) is 5-chloro-N-methyl-N-(oxan-2-ylmethyl)pentan-1-amine.
What is the SMILES notation for 5-chloro-N-methyl-N-(oxan-2-ylmethyl)pentan-1-amine?
The canonical SMILES for 5-chloro-N-methyl-N-(oxan-2-ylmethyl)pentan-1-amine is CN(CCCCCCl)CC1CCCCO1.
What is the InChIKey of 5-chloro-N-methyl-N-(oxan-2-ylmethyl)pentan-1-amine?
The InChIKey is OYUMQMFSEFBOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24ClNO/c1-14(9-5-2-4-8-13)11-12-7-3-6-10-15-12/h12H,2-11H2,1H3.
What are the key properties of 5-chloro-N-methyl-N-(oxan-2-ylmethyl)pentan-1-amine?
5-chloro-N-methyl-N-(oxan-2-ylmethyl)pentan-1-amine has a molecular weight of 233.78 g/mol, XLogP of 2.90, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-(oxan-2-ylmethyl)pentan-1-amine is sourced from PubChem (CID 61436139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).