N,N-bis(2-chloroethyl)-2-morpholin-4-ylethanamine;dihydrochloride

C10H22Cl4N2O — CID 3064255

IUPACN,N-bis(2-chloroethyl)-2-morpholin-4-ylethanamine;dihydrochloride
SMILESCl.Cl.ClCCN(CCCl)CCN1CCOCC1
InChIInChI=1S/C10H20Cl2N2O.2ClH/c11-1-3-13(4-2-12)5-6-14-7-9-15-10-8-14;;/h1-10H2;2*1H
InChIKeyFKRGSYRQYAKEMR-UHFFFAOYSA-N
MW328.11 g/mol
LogP1.94
Rot. Bonds7

About N,N-bis(2-chloroethyl)-2-morpholin-4-ylethanamine;dihydrochloride

N,N-bis(2-chloroethyl)-2-morpholin-4-ylethanamine;dihydrochloride (PubChem CID 3064255) has the molecular formula C10H22Cl4N2O and a molecular weight of 328.11 g/mol. Its IUPAC name is N,N-bis(2-chloroethyl)-2-morpholin-4-ylethanamine;dihydrochloride.

Molecular Properties

Compound NameN,N-bis(2-chloroethyl)-2-morpholin-4-ylethanamine;dihydrochloride
PubChem CID3064255
Molecular FormulaC10H22Cl4N2O
Molecular Weight328.11 g/mol
Exact Mass326.05
IUPAC NameN,N-bis(2-chloroethyl)-2-morpholin-4-ylethanamine;dihydrochloride
SMILESCl.Cl.ClCCN(CCCl)CCN1CCOCC1
InChIInChI=1S/C10H20Cl2N2O.2ClH/c11-1-3-13(4-2-12)5-6-14-7-9-15-10-8-14;;/h1-10H2;2*1H
InChIKeyFKRGSYRQYAKEMR-UHFFFAOYSA-N
XLogP1.94
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.11
LogP ≤ 51.94
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 N,N-bis(2-chloroethyl)-2-morpholin-4-ylethanamine;dihydrochloride?
The IUPAC name of N,N-bis(2-chloroethyl)-2-morpholin-4-ylethanamine;dihydrochloride (CID 3064255) is N,N-bis(2-chloroethyl)-2-morpholin-4-ylethanamine;dihydrochloride.
What is the SMILES notation for N,N-bis(2-chloroethyl)-2-morpholin-4-ylethanamine;dihydrochloride?
The canonical SMILES for N,N-bis(2-chloroethyl)-2-morpholin-4-ylethanamine;dihydrochloride is Cl.Cl.ClCCN(CCCl)CCN1CCOCC1.
What is the InChIKey of N,N-bis(2-chloroethyl)-2-morpholin-4-ylethanamine;dihydrochloride?
The InChIKey is FKRGSYRQYAKEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20Cl2N2O.2ClH/c11-1-3-13(4-2-12)5-6-14-7-9-15-10-8-14;;/h1-10H2;2*1H.
What are the key properties of N,N-bis(2-chloroethyl)-2-morpholin-4-ylethanamine;dihydrochloride?
N,N-bis(2-chloroethyl)-2-morpholin-4-ylethanamine;dihydrochloride has a molecular weight of 328.11 g/mol, XLogP of 1.94, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-chloroethyl)-2-morpholin-4-ylethanamine;dihydrochloride is sourced from PubChem (CID 3064255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).