6-chloro-N-methyl-N-(oxan-2-ylmethyl)hexan-1-amine

C13H26ClNO — CID 62227447

IUPAC6-chloro-N-methyl-N-(oxan-2-ylmethyl)hexan-1-amine
SMILESCN(CCCCCCCl)CC1CCCCO1
InChIInChI=1S/C13H26ClNO/c1-15(10-6-3-2-5-9-14)12-13-8-4-7-11-16-13/h13H,2-12H2,1H3
InChIKeyKCJNTWPWIKAWMK-UHFFFAOYSA-N
MW247.80 g/mol
LogP3.00
Rot. Bonds8

About 6-chloro-N-methyl-N-(oxan-2-ylmethyl)hexan-1-amine

6-chloro-N-methyl-N-(oxan-2-ylmethyl)hexan-1-amine (PubChem CID 62227447) has the molecular formula C13H26ClNO and a molecular weight of 247.80 g/mol. Its IUPAC name is 6-chloro-N-methyl-N-(oxan-2-ylmethyl)hexan-1-amine.

Molecular Properties

Compound Name6-chloro-N-methyl-N-(oxan-2-ylmethyl)hexan-1-amine
PubChem CID62227447
Molecular FormulaC13H26ClNO
Molecular Weight247.80 g/mol
Exact Mass247.17
IUPAC Name6-chloro-N-methyl-N-(oxan-2-ylmethyl)hexan-1-amine
SMILESCN(CCCCCCCl)CC1CCCCO1
InChIInChI=1S/C13H26ClNO/c1-15(10-6-3-2-5-9-14)12-13-8-4-7-11-16-13/h13H,2-12H2,1H3
InChIKeyKCJNTWPWIKAWMK-UHFFFAOYSA-N
XLogP3.00
TPSA12.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity166

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.80
LogP ≤ 53.00
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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Related Compounds

N-(2-chloroethyl)-2,2-difluoro-N-(oxan-2-ylmethyl)ethanamine
CID 107487796
N-(2-chloroethyl)-2,2,2-trifluoro-N-(oxan-2-ylmethyl)ethanamine
CID 107488728
3-Chloro-1-methyl-2-(2-methylpropoxymethyl)piperidine
CID 14209247
4-(4-Chlorobutyl)-2,6-dimethylmorpholine
CID 19738025
4-(11-Chloroundecyl)-2,6-dimethylmorpholine
CID 19738027
3-Chloro-2-(ethoxymethyl)-1-methylpiperidine
CID 21245730
N-ethyl-N-[[(2S)-oxan-2-yl]methyl]ethanamine
CID 58080083
N-ethyl-N-[[(2R)-oxan-2-yl]methyl]ethanamine
CID 58080096
N-ethyl-N-(oxan-2-ylmethyl)ethanamine
CID 58080190
4-(6-Chlorohexyl)morpholine
CID 62227438
2-Butyl-2-chloro-4-methylmorpholine
CID 141318115
N-methyl-N-(oxan-2-ylmethyl)ethanamine
CID 143886318

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-N-(oxan-2-ylmethyl)hexan-1-amine?
The IUPAC name of 6-chloro-N-methyl-N-(oxan-2-ylmethyl)hexan-1-amine (CID 62227447) is 6-chloro-N-methyl-N-(oxan-2-ylmethyl)hexan-1-amine.
What is the SMILES notation for 6-chloro-N-methyl-N-(oxan-2-ylmethyl)hexan-1-amine?
The canonical SMILES for 6-chloro-N-methyl-N-(oxan-2-ylmethyl)hexan-1-amine is CN(CCCCCCCl)CC1CCCCO1.
What is the InChIKey of 6-chloro-N-methyl-N-(oxan-2-ylmethyl)hexan-1-amine?
The InChIKey is KCJNTWPWIKAWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26ClNO/c1-15(10-6-3-2-5-9-14)12-13-8-4-7-11-16-13/h13H,2-12H2,1H3.
What are the key properties of 6-chloro-N-methyl-N-(oxan-2-ylmethyl)hexan-1-amine?
6-chloro-N-methyl-N-(oxan-2-ylmethyl)hexan-1-amine has a molecular weight of 247.80 g/mol, XLogP of 3.00, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-N-(oxan-2-ylmethyl)hexan-1-amine is sourced from PubChem (CID 62227447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).