(4-butylcyclohexyl)-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone

C17H30ClNO2 — CID 102937329

IUPAC(4-butylcyclohexyl)-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone
SMILESCCCCC1CCC(C(=O)N2CC(C)OC(CCl)C2)CC1
InChIInChI=1S/C17H30ClNO2/c1-3-4-5-14-6-8-15(9-7-14)17(20)19-11-13(2)21-16(10-18)12-19/h13-16H,3-12H2,1-2H3
InChIKeyHZNOCSCOVJHHHP-UHFFFAOYSA-N
MW315.89 g/mol
LogP3.84
Rot. Bonds5

About (4-butylcyclohexyl)-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone

(4-butylcyclohexyl)-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone (PubChem CID 102937329) has the molecular formula C17H30ClNO2 and a molecular weight of 315.89 g/mol. Its IUPAC name is (4-butylcyclohexyl)-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-butylcyclohexyl)-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone
PubChem CID102937329
Molecular FormulaC17H30ClNO2
Molecular Weight315.89 g/mol
Exact Mass315.20
IUPAC Name(4-butylcyclohexyl)-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone
SMILESCCCCC1CCC(C(=O)N2CC(C)OC(CCl)C2)CC1
InChIInChI=1S/C17H30ClNO2/c1-3-4-5-14-6-8-15(9-7-14)17(20)19-11-13(2)21-16(10-18)12-19/h13-16H,3-12H2,1-2H3
InChIKeyHZNOCSCOVJHHHP-UHFFFAOYSA-N
XLogP3.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.89
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-(aminomethyl)-6-methylmorpholin-4-yl]-cyclopropylmethanone
CID 102938416
(4-butylcyclohexyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114501545
[(3R)-3-aminopyrrolidin-1-yl]-(4-butylcyclohexyl)methanone
CID 81469957
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[4-(trifluoromethyl)cyclohexyl]methanone
CID 102934496
[2-(chloromethyl)-6-methylmorpholin-4-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 102937469
(4-butylcyclohexyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 63263642
(3-aminopiperidin-1-yl)-(4-butylcyclohexyl)methanone
CID 61296841
1-[2-(chloromethyl)-6-methylmorpholin-4-yl]-2-cycloheptylethanone
CID 102937419
[2-(chloromethyl)-6-methylmorpholin-4-yl]-(oxolan-2-yl)methanone
CID 102937308
1-[2-(chloromethyl)-6-methylmorpholin-4-yl]-4,4,4-trifluorobutan-1-one
CID 102937571
4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]cyclohexane-1-carboxylic acid
CID 98555777
[3-(1-aminoethyl)pyrrolidin-1-yl]-(4-butylcyclohexyl)methanone
CID 115969502

Frequently Asked Questions

What is the IUPAC name of (4-butylcyclohexyl)-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone?
The IUPAC name of (4-butylcyclohexyl)-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone (CID 102937329) is (4-butylcyclohexyl)-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone.
What is the SMILES notation for (4-butylcyclohexyl)-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone?
The canonical SMILES for (4-butylcyclohexyl)-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone is CCCCC1CCC(C(=O)N2CC(C)OC(CCl)C2)CC1.
What is the InChIKey of (4-butylcyclohexyl)-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone?
The InChIKey is HZNOCSCOVJHHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30ClNO2/c1-3-4-5-14-6-8-15(9-7-14)17(20)19-11-13(2)21-16(10-18)12-19/h13-16H,3-12H2,1-2H3.
What are the key properties of (4-butylcyclohexyl)-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone?
(4-butylcyclohexyl)-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone has a molecular weight of 315.89 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butylcyclohexyl)-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 102937329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).