N-[ethoxy-(4-propan-2-ylpiperazin-1-yl)phosphoryl]-N-methylmethanamine

C11H26N3O2P — CID 126677693

IUPACN-[ethoxy-(4-propan-2-ylpiperazin-1-yl)phosphoryl]-N-methylmethanamine
SMILESCCOP(=O)(N(C)C)N1CCN(C(C)C)CC1
InChIInChI=1S/C11H26N3O2P/c1-6-16-17(15,12(4)5)14-9-7-13(8-10-14)11(2)3/h11H,6-10H2,1-5H3
InChIKeyKIUXTJCHSGHBCO-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.72
Rot. Bonds5

About N-[ethoxy-(4-propan-2-ylpiperazin-1-yl)phosphoryl]-N-methylmethanamine

N-[ethoxy-(4-propan-2-ylpiperazin-1-yl)phosphoryl]-N-methylmethanamine (PubChem CID 126677693) has the molecular formula C11H26N3O2P and a molecular weight of 263.32 g/mol. Its IUPAC name is N-[ethoxy-(4-propan-2-ylpiperazin-1-yl)phosphoryl]-N-methylmethanamine.

Molecular Properties

Compound NameN-[ethoxy-(4-propan-2-ylpiperazin-1-yl)phosphoryl]-N-methylmethanamine
PubChem CID126677693
Molecular FormulaC11H26N3O2P
Molecular Weight263.32 g/mol
Exact Mass263.18
IUPAC NameN-[ethoxy-(4-propan-2-ylpiperazin-1-yl)phosphoryl]-N-methylmethanamine
SMILESCCOP(=O)(N(C)C)N1CCN(C(C)C)CC1
InChIInChI=1S/C11H26N3O2P/c1-6-16-17(15,12(4)5)14-9-7-13(8-10-14)11(2)3/h11H,6-10H2,1-5H3
InChIKeyKIUXTJCHSGHBCO-UHFFFAOYSA-N
XLogP1.72
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[ethoxy-(4-methylpiperazin-1-yl)phosphoryl]-N-methylmethanamine
CID 126613480
1-[4-[dimethylamino(propan-2-yloxy)phosphoryl]piperazin-1-yl]-2-ethoxy-2-methylpropan-1-one
CID 155101173
1-ethoxy-4-propan-2-ylpiperazine
CID 150580357
[dimethylamino-(4-propanoylpiperazin-1-yl)phosphoryl] hypofluorite
CID 142572309
1-diethoxyphosphorylpyrrolidine
CID 10750826
2-ethoxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
CID 86990301
N,N-dimethylmethanamine;1-propan-2-ylpyrrolidine
CID 177158830
2-(dimethylamino)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 59553868
1-diethoxyphosphoryl-1-methoxy-N,N-dimethylmethanamine
CID 13111732
N-(2-methoxyethyl)-N-methylformamide;1-propan-2-ylazetidine
CID 168941075
2-ethoxy-4-(4-propan-2-ylpiperazin-1-yl)butan-1-amine
CID 63069699
N-[(4,6-dimethylmorpholin-2-yl)methoxy-[2-methyl-6-(2-methylpropyl)morpholin-4-yl]phosphoryl]-N-methylmethanamine
CID 135178519

Frequently Asked Questions

What is the IUPAC name of N-[ethoxy-(4-propan-2-ylpiperazin-1-yl)phosphoryl]-N-methylmethanamine?
The IUPAC name of N-[ethoxy-(4-propan-2-ylpiperazin-1-yl)phosphoryl]-N-methylmethanamine (CID 126677693) is N-[ethoxy-(4-propan-2-ylpiperazin-1-yl)phosphoryl]-N-methylmethanamine.
What is the SMILES notation for N-[ethoxy-(4-propan-2-ylpiperazin-1-yl)phosphoryl]-N-methylmethanamine?
The canonical SMILES for N-[ethoxy-(4-propan-2-ylpiperazin-1-yl)phosphoryl]-N-methylmethanamine is CCOP(=O)(N(C)C)N1CCN(C(C)C)CC1.
What is the InChIKey of N-[ethoxy-(4-propan-2-ylpiperazin-1-yl)phosphoryl]-N-methylmethanamine?
The InChIKey is KIUXTJCHSGHBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N3O2P/c1-6-16-17(15,12(4)5)14-9-7-13(8-10-14)11(2)3/h11H,6-10H2,1-5H3.
What are the key properties of N-[ethoxy-(4-propan-2-ylpiperazin-1-yl)phosphoryl]-N-methylmethanamine?
N-[ethoxy-(4-propan-2-ylpiperazin-1-yl)phosphoryl]-N-methylmethanamine has a molecular weight of 263.32 g/mol, XLogP of 1.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[ethoxy-(4-propan-2-ylpiperazin-1-yl)phosphoryl]-N-methylmethanamine is sourced from PubChem (CID 126677693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).