N,N-diethylethanamine;N-[dimethylamino(fluoro)phosphoryl]-N-methylmethanamine

C10H27FN3OP — CID 87468287

IUPACN,N-diethylethanamine;N-[dimethylamino(fluoro)phosphoryl]-N-methylmethanamine
SMILESCCN(CC)CC.CN(C)P(=O)(F)N(C)C
InChIInChI=1S/C6H15N.C4H12FN2OP/c1-4-7(5-2)6-3;1-6(2)9(5,8)7(3)4/h4-6H2,1-3H3;1-4H3
InChIKeyJKWHIGQNYMUPRG-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.54
Rot. Bonds5

About N,N-diethylethanamine;N-[dimethylamino(fluoro)phosphoryl]-N-methylmethanamine

N,N-diethylethanamine;N-[dimethylamino(fluoro)phosphoryl]-N-methylmethanamine (PubChem CID 87468287) has the molecular formula C10H27FN3OP and a molecular weight of 255.32 g/mol. Its IUPAC name is N,N-diethylethanamine;N-[dimethylamino(fluoro)phosphoryl]-N-methylmethanamine.

Molecular Properties

Compound NameN,N-diethylethanamine;N-[dimethylamino(fluoro)phosphoryl]-N-methylmethanamine
PubChem CID87468287
Molecular FormulaC10H27FN3OP
Molecular Weight255.32 g/mol
Exact Mass255.19
IUPAC NameN,N-diethylethanamine;N-[dimethylamino(fluoro)phosphoryl]-N-methylmethanamine
SMILESCCN(CC)CC.CN(C)P(=O)(F)N(C)C
InChIInChI=1S/C6H15N.C4H12FN2OP/c1-4-7(5-2)6-3;1-6(2)9(5,8)7(3)4/h4-6H2,1-3H3;1-4H3
InChIKeyJKWHIGQNYMUPRG-UHFFFAOYSA-N
XLogP2.54
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[dimethylamino(fluoro)(18F)phosphoryl]-N-methylmethanamine
CID 11367107
N,N-diethylethanamine;fluorophosphonic acid
CID 173141880
N-[dimethylamino(fluoro)phosphoryl]-N-methylmethanamine;N-ethylethanamine
CID 118626866
N,N-diethylethanamine;ethane
CID 22114990
N,N-diethylethanamine;N,N-dimethylmethanamine;hydrobromide
CID 174858391
N,N-diethylethanamine;N,N-dimethylethanamine
CID 87629474
N,N-diethylethanamine;hypofluorous acid
CID 157218487
N,N-diethylethanamine;oxotitanium
CID 174882939
N,N-diethylethanamine;formaldehyde
CID 88603277
bis(N,N-diethylethanamine);dihydrate
CID 173331052
N,N-diethylethanamine chloride
CID 22292735
CID 175820473
CID 175820473

Frequently Asked Questions

What is the IUPAC name of N,N-diethylethanamine;N-[dimethylamino(fluoro)phosphoryl]-N-methylmethanamine?
The IUPAC name of N,N-diethylethanamine;N-[dimethylamino(fluoro)phosphoryl]-N-methylmethanamine (CID 87468287) is N,N-diethylethanamine;N-[dimethylamino(fluoro)phosphoryl]-N-methylmethanamine.
What is the SMILES notation for N,N-diethylethanamine;N-[dimethylamino(fluoro)phosphoryl]-N-methylmethanamine?
The canonical SMILES for N,N-diethylethanamine;N-[dimethylamino(fluoro)phosphoryl]-N-methylmethanamine is CCN(CC)CC.CN(C)P(=O)(F)N(C)C.
What is the InChIKey of N,N-diethylethanamine;N-[dimethylamino(fluoro)phosphoryl]-N-methylmethanamine?
The InChIKey is JKWHIGQNYMUPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C4H12FN2OP/c1-4-7(5-2)6-3;1-6(2)9(5,8)7(3)4/h4-6H2,1-3H3;1-4H3.
What are the key properties of N,N-diethylethanamine;N-[dimethylamino(fluoro)phosphoryl]-N-methylmethanamine?
N,N-diethylethanamine;N-[dimethylamino(fluoro)phosphoryl]-N-methylmethanamine has a molecular weight of 255.32 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylethanamine;N-[dimethylamino(fluoro)phosphoryl]-N-methylmethanamine is sourced from PubChem (CID 87468287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).