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

C12H24ClNO — CID 62227446

IUPAC6-chloro-N-methyl-N-(oxolan-2-ylmethyl)hexan-1-amine
SMILESCN(CCCCCCCl)CC1CCCO1
InChIInChI=1S/C12H24ClNO/c1-14(9-5-3-2-4-8-13)11-12-7-6-10-15-12/h12H,2-11H2,1H3
InChIKeyCVYNBAVYENADMW-UHFFFAOYSA-N
MW233.78 g/mol
LogP2.90
Rot. Bonds8

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

6-chloro-N-methyl-N-(oxolan-2-ylmethyl)hexan-1-amine (PubChem CID 62227446) has the molecular formula C12H24ClNO and a molecular weight of 233.78 g/mol. Its IUPAC name is 6-chloro-N-methyl-N-(oxolan-2-ylmethyl)hexan-1-amine.

Molecular Properties

Compound Name6-chloro-N-methyl-N-(oxolan-2-ylmethyl)hexan-1-amine
PubChem CID62227446
Molecular FormulaC12H24ClNO
Molecular Weight233.78 g/mol
Exact Mass233.15
IUPAC Name6-chloro-N-methyl-N-(oxolan-2-ylmethyl)hexan-1-amine
SMILESCN(CCCCCCCl)CC1CCCO1
InChIInChI=1S/C12H24ClNO/c1-14(9-5-3-2-4-8-13)11-12-7-6-10-15-12/h12H,2-11H2,1H3
InChIKeyCVYNBAVYENADMW-UHFFFAOYSA-N
XLogP2.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
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 6-chloro-N-methyl-N-(oxolan-2-ylmethyl)hexan-1-amine?
The IUPAC name of 6-chloro-N-methyl-N-(oxolan-2-ylmethyl)hexan-1-amine (CID 62227446) is 6-chloro-N-methyl-N-(oxolan-2-ylmethyl)hexan-1-amine.
What is the SMILES notation for 6-chloro-N-methyl-N-(oxolan-2-ylmethyl)hexan-1-amine?
The canonical SMILES for 6-chloro-N-methyl-N-(oxolan-2-ylmethyl)hexan-1-amine is CN(CCCCCCCl)CC1CCCO1.
What is the InChIKey of 6-chloro-N-methyl-N-(oxolan-2-ylmethyl)hexan-1-amine?
The InChIKey is CVYNBAVYENADMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24ClNO/c1-14(9-5-3-2-4-8-13)11-12-7-6-10-15-12/h12H,2-11H2,1H3.
What are the key properties of 6-chloro-N-methyl-N-(oxolan-2-ylmethyl)hexan-1-amine?
6-chloro-N-methyl-N-(oxolan-2-ylmethyl)hexan-1-amine has a molecular weight of 233.78 g/mol, XLogP of 2.90, 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-(oxolan-2-ylmethyl)hexan-1-amine is sourced from PubChem (CID 62227446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).