2-[bis(2-chloroethyl)amino]-1-morpholin-4-ylpropan-1-one;hydrochloride

C11H21Cl3N2O2 — CID 3064257

IUPAC2-[bis(2-chloroethyl)amino]-1-morpholin-4-ylpropan-1-one;hydrochloride
SMILESCC(C(=O)N1CCOCC1)N(CCCl)CCCl.Cl
InChIInChI=1S/C11H20Cl2N2O2.ClH/c1-10(14(4-2-12)5-3-13)11(16)15-6-8-17-9-7-15;/h10H,2-9H2,1H3;1H
InChIKeyHLVQSUVAEDZHGI-UHFFFAOYSA-N
MW319.66 g/mol
LogP1.44
Rot. Bonds6

About 2-[bis(2-chloroethyl)amino]-1-morpholin-4-ylpropan-1-one;hydrochloride

2-[bis(2-chloroethyl)amino]-1-morpholin-4-ylpropan-1-one;hydrochloride (PubChem CID 3064257) has the molecular formula C11H21Cl3N2O2 and a molecular weight of 319.66 g/mol. Its IUPAC name is 2-[bis(2-chloroethyl)amino]-1-morpholin-4-ylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name2-[bis(2-chloroethyl)amino]-1-morpholin-4-ylpropan-1-one;hydrochloride
PubChem CID3064257
Molecular FormulaC11H21Cl3N2O2
Molecular Weight319.66 g/mol
Exact Mass318.07
IUPAC Name2-[bis(2-chloroethyl)amino]-1-morpholin-4-ylpropan-1-one;hydrochloride
SMILESCC(C(=O)N1CCOCC1)N(CCCl)CCCl.Cl
InChIInChI=1S/C11H20Cl2N2O2.ClH/c1-10(14(4-2-12)5-3-13)11(16)15-6-8-17-9-7-15;/h10H,2-9H2,1H3;1H
InChIKeyHLVQSUVAEDZHGI-UHFFFAOYSA-N
XLogP1.44
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.66
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-chloroethyl)amino]-1-morpholin-4-ylpropan-1-one;hydrochloride?
The IUPAC name of 2-[bis(2-chloroethyl)amino]-1-morpholin-4-ylpropan-1-one;hydrochloride (CID 3064257) is 2-[bis(2-chloroethyl)amino]-1-morpholin-4-ylpropan-1-one;hydrochloride.
What is the SMILES notation for 2-[bis(2-chloroethyl)amino]-1-morpholin-4-ylpropan-1-one;hydrochloride?
The canonical SMILES for 2-[bis(2-chloroethyl)amino]-1-morpholin-4-ylpropan-1-one;hydrochloride is CC(C(=O)N1CCOCC1)N(CCCl)CCCl.Cl.
What is the InChIKey of 2-[bis(2-chloroethyl)amino]-1-morpholin-4-ylpropan-1-one;hydrochloride?
The InChIKey is HLVQSUVAEDZHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20Cl2N2O2.ClH/c1-10(14(4-2-12)5-3-13)11(16)15-6-8-17-9-7-15;/h10H,2-9H2,1H3;1H.
What are the key properties of 2-[bis(2-chloroethyl)amino]-1-morpholin-4-ylpropan-1-one;hydrochloride?
2-[bis(2-chloroethyl)amino]-1-morpholin-4-ylpropan-1-one;hydrochloride has a molecular weight of 319.66 g/mol, XLogP of 1.44, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-chloroethyl)amino]-1-morpholin-4-ylpropan-1-one;hydrochloride is sourced from PubChem (CID 3064257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).