(3S)-4-(3-chloropropyl)-3-methylmorpholine

C8H16ClNO — CID 57346428

IUPAC(3S)-4-(3-chloropropyl)-3-methylmorpholine
SMILESC[C@H]1COCCN1CCCCl
InChIInChI=1S/C8H16ClNO/c1-8-7-11-6-5-10(8)4-2-3-9/h8H,2-7H2,1H3/t8-/m0/s1
InChIKeyGAHYWBLXVBXUQJ-QMMMGPOBSA-N
MW177.67 g/mol
LogP1.34
Rot. Bonds3

About (3S)-4-(3-chloropropyl)-3-methylmorpholine

(3S)-4-(3-chloropropyl)-3-methylmorpholine (PubChem CID 57346428) has the molecular formula C8H16ClNO and a molecular weight of 177.67 g/mol. Its IUPAC name is (3S)-4-(3-chloropropyl)-3-methylmorpholine.

Molecular Properties

Compound Name(3S)-4-(3-chloropropyl)-3-methylmorpholine
PubChem CID57346428
Molecular FormulaC8H16ClNO
Molecular Weight177.67 g/mol
Exact Mass177.09
IUPAC Name(3S)-4-(3-chloropropyl)-3-methylmorpholine
SMILESC[C@H]1COCCN1CCCCl
InChIInChI=1S/C8H16ClNO/c1-8-7-11-6-5-10(8)4-2-3-9/h8H,2-7H2,1H3/t8-/m0/s1
InChIKeyGAHYWBLXVBXUQJ-QMMMGPOBSA-N
XLogP1.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.67
LogP ≤ 51.34
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

4-(3-Chloropropyl)morpholine
CID 95834
4-(3-Chloropropyl)morpholinium chloride
CID 12296283
4-Sec-butylmorpholine
CID 110911
2-(Chloromethyl)-4-(2-methylpropyl)morpholine
CID 4962385
2-(Chloromethyl)-4-(propan-2-yl)morpholine
CID 12832480
4-(4-Chlorobutyl)morpholine--hydrogen chloride (1/1)
CID 71310941
4-(2-Chloropropyl)morpholine
CID 15104445
4-(4-Chloro-1,1,1-trifluorobutan-2-yl)morpholine
CID 132398847
4-(4-Chloro-1,1-difluorobutan-2-yl)morpholine
CID 137951602
(s)-4-(1-Chloropropan-2-yl)morpholine
CID 51673805
4-(4-Chlorobutyl)morpholine
CID 15104448
4-[(2S)-butan-2-yl]morpholine
CID 7471960

Frequently Asked Questions

What is the IUPAC name of (3S)-4-(3-chloropropyl)-3-methylmorpholine?
The IUPAC name of (3S)-4-(3-chloropropyl)-3-methylmorpholine (CID 57346428) is (3S)-4-(3-chloropropyl)-3-methylmorpholine.
What is the SMILES notation for (3S)-4-(3-chloropropyl)-3-methylmorpholine?
The canonical SMILES for (3S)-4-(3-chloropropyl)-3-methylmorpholine is C[C@H]1COCCN1CCCCl.
What is the InChIKey of (3S)-4-(3-chloropropyl)-3-methylmorpholine?
The InChIKey is GAHYWBLXVBXUQJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H16ClNO/c1-8-7-11-6-5-10(8)4-2-3-9/h8H,2-7H2,1H3/t8-/m0/s1.
What are the key properties of (3S)-4-(3-chloropropyl)-3-methylmorpholine?
(3S)-4-(3-chloropropyl)-3-methylmorpholine has a molecular weight of 177.67 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-(3-chloropropyl)-3-methylmorpholine is sourced from PubChem (CID 57346428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).