N,N'-bis(2-chloro-2-dimorpholin-4-ylphosphorylethenyl)ethane-1,2-diamine

C22H40Cl2N6O6P2 — CID 5138034

IUPACN,N'-bis(2-chloro-2-dimorpholin-4-ylphosphorylethenyl)ethane-1,2-diamine
SMILESO=P(C(Cl)=CNCCNC=C(Cl)P(=O)(N1CCOCC1)N1CCOCC1)(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C22H40Cl2N6O6P2/c23-21(37(31,27-3-11-33-12-4-27)28-5-13-34-14-6-28)19-25-1-2-26-20-22(24)38(32,29-7-15-35-16-8-29)30-9-17-36-18-10-30/h19-20,25-26H,1-18H2
InChIKeyWWYHKLGWBFHCDP-UHFFFAOYSA-N
MW617.45 g/mol
LogP1.96
Rot. Bonds11

About N,N'-bis(2-chloro-2-dimorpholin-4-ylphosphorylethenyl)ethane-1,2-diamine

N,N'-bis(2-chloro-2-dimorpholin-4-ylphosphorylethenyl)ethane-1,2-diamine (PubChem CID 5138034) has the molecular formula C22H40Cl2N6O6P2 and a molecular weight of 617.45 g/mol. Its IUPAC name is N,N'-bis(2-chloro-2-dimorpholin-4-ylphosphorylethenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-bis(2-chloro-2-dimorpholin-4-ylphosphorylethenyl)ethane-1,2-diamine
PubChem CID5138034
Molecular FormulaC22H40Cl2N6O6P2
Molecular Weight617.45 g/mol
Exact Mass616.19
IUPAC NameN,N'-bis(2-chloro-2-dimorpholin-4-ylphosphorylethenyl)ethane-1,2-diamine
SMILESO=P(C(Cl)=CNCCNC=C(Cl)P(=O)(N1CCOCC1)N1CCOCC1)(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C22H40Cl2N6O6P2/c23-21(37(31,27-3-11-33-12-4-27)28-5-13-34-14-6-28)19-25-1-2-26-20-22(24)38(32,29-7-15-35-16-8-29)30-9-17-36-18-10-30/h19-20,25-26H,1-18H2
InChIKeyWWYHKLGWBFHCDP-UHFFFAOYSA-N
XLogP1.96
TPSA108.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500617.45
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

dimorpholin-4-ylphosphinic acid
CID 4193589
(1Z)-1-dimorpholin-4-ylphosphoryl-N-hydroxymethanimidoyl iodide
CID 15685821
N-[chloro(morpholin-4-yl)phosphoryl]propan-2-amine
CID 13381598
2-chloroacetyl chloride;dimorpholin-4-ylmethanone
CID 174889845
2-chloro-N-morpholin-4-ylacetamide
CID 3653953
2-bromo-2-dimorpholin-4-ylphosphorylacetaldehyde
CID 2783560
3-[[(Z)-2-cyano-3-morpholin-4-yl-3-oxoprop-1-enyl]amino]propanoic acid
CID 108843555
(Z)-2-(morpholine-4-carbonyl)-3-(2-morpholin-4-ylethylamino)prop-2-enenitrile
CID 108843675
tris(morpholin-4-ylamino) phosphate
CID 141286204
1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-ylmethylphosphonic acid
CID 101017054
3-[chloro(morpholin-4-yl)phosphoryl]-1,3-oxazinane
CID 134893452
N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-3-morpholin-4-ylpropan-1-amine
CID 2307349

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2-chloro-2-dimorpholin-4-ylphosphorylethenyl)ethane-1,2-diamine?
The IUPAC name of N,N'-bis(2-chloro-2-dimorpholin-4-ylphosphorylethenyl)ethane-1,2-diamine (CID 5138034) is N,N'-bis(2-chloro-2-dimorpholin-4-ylphosphorylethenyl)ethane-1,2-diamine.
What is the SMILES notation for N,N'-bis(2-chloro-2-dimorpholin-4-ylphosphorylethenyl)ethane-1,2-diamine?
The canonical SMILES for N,N'-bis(2-chloro-2-dimorpholin-4-ylphosphorylethenyl)ethane-1,2-diamine is O=P(C(Cl)=CNCCNC=C(Cl)P(=O)(N1CCOCC1)N1CCOCC1)(N1CCOCC1)N1CCOCC1.
What is the InChIKey of N,N'-bis(2-chloro-2-dimorpholin-4-ylphosphorylethenyl)ethane-1,2-diamine?
The InChIKey is WWYHKLGWBFHCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40Cl2N6O6P2/c23-21(37(31,27-3-11-33-12-4-27)28-5-13-34-14-6-28)19-25-1-2-26-20-22(24)38(32,29-7-15-35-16-8-29)30-9-17-36-18-10-30/h19-20,25-26H,1-18H2.
What are the key properties of N,N'-bis(2-chloro-2-dimorpholin-4-ylphosphorylethenyl)ethane-1,2-diamine?
N,N'-bis(2-chloro-2-dimorpholin-4-ylphosphorylethenyl)ethane-1,2-diamine has a molecular weight of 617.45 g/mol, XLogP of 1.96, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2-chloro-2-dimorpholin-4-ylphosphorylethenyl)ethane-1,2-diamine is sourced from PubChem (CID 5138034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).