5-chloro-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]pentan-1-amine

C12H25ClN2O — CID 107205092

IUPAC5-chloro-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]pentan-1-amine
SMILESCN(CCCCCCl)CC1CN(C)CCO1
InChIInChI=1S/C12H25ClN2O/c1-14(7-5-3-4-6-13)10-12-11-15(2)8-9-16-12/h12H,3-11H2,1-2H3
InChIKeyIVEMDBXHAWHPPZ-UHFFFAOYSA-N
MW248.80 g/mol
LogP1.66
Rot. Bonds7

About 5-chloro-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]pentan-1-amine

5-chloro-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]pentan-1-amine (PubChem CID 107205092) has the molecular formula C12H25ClN2O and a molecular weight of 248.80 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]pentan-1-amine.

Molecular Properties

Compound Name5-chloro-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]pentan-1-amine
PubChem CID107205092
Molecular FormulaC12H25ClN2O
Molecular Weight248.80 g/mol
Exact Mass248.17
IUPAC Name5-chloro-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]pentan-1-amine
SMILESCN(CCCCCCl)CC1CN(C)CCO1
InChIInChI=1S/C12H25ClN2O/c1-14(7-5-3-4-6-13)10-12-11-15(2)8-9-16-12/h12H,3-11H2,1-2H3
InChIKeyIVEMDBXHAWHPPZ-UHFFFAOYSA-N
XLogP1.66
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.80
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-chloro-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]pentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-Chlorobutyl)morpholine
CID 15104448
4-(3-Chloropropyl)-2,6-dimethylmorpholine
CID 19738017
4-(3-Chlorobutyl)morpholine
CID 15104446
4-(5-Chloropentyl)morpholine
CID 15104447
4-(4-Chlorobutyl)-2,6-dimethylmorpholine hydrochloride
CID 19738024
4-(4-Chlorobutyl)-2,6-dimethylmorpholine
CID 19738025
4-(11-Chloroundecyl)-2,6-dimethylmorpholine
CID 19738027
4-(2-Chloropentyl)morpholine
CID 19907056
2-(2-Chloroethyl)-4-methylmorpholine
CID 22568278
(2R,6S)-4-(3-Chloropropyl)-2,6-dimethylmorpholine
CID 53215957
4-(3-Chloropropyl)-2-ethylmorpholine
CID 58219835
4-(3-Chloropropyl)-2-methylmorpholine
CID 61286291

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]pentan-1-amine?
The IUPAC name of 5-chloro-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]pentan-1-amine (CID 107205092) is 5-chloro-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]pentan-1-amine.
What is the SMILES notation for 5-chloro-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]pentan-1-amine?
The canonical SMILES for 5-chloro-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]pentan-1-amine is CN(CCCCCCl)CC1CN(C)CCO1.
What is the InChIKey of 5-chloro-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]pentan-1-amine?
The InChIKey is IVEMDBXHAWHPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25ClN2O/c1-14(7-5-3-4-6-13)10-12-11-15(2)8-9-16-12/h12H,3-11H2,1-2H3.
What are the key properties of 5-chloro-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]pentan-1-amine?
5-chloro-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]pentan-1-amine has a molecular weight of 248.80 g/mol, XLogP of 1.66, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]pentan-1-amine is sourced from PubChem (CID 107205092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).