N-[tert-butyl(ethylamino)phosphoryl]ethanamine

C8H21N2OP — CID 142271185

IUPACN-[tert-butyl(ethylamino)phosphoryl]ethanamine
SMILESCCNP(=O)(NCC)C(C)(C)C
InChIInChI=1S/C8H21N2OP/c1-6-9-12(11,10-7-2)8(3,4)5/h6-7H2,1-5H3,(H2,9,10,11)
InChIKeyCFNBXSORSRALEA-UHFFFAOYSA-N
MW192.24 g/mol
LogP2.20
Rot. Bonds4

About N-[tert-butyl(ethylamino)phosphoryl]ethanamine

N-[tert-butyl(ethylamino)phosphoryl]ethanamine (PubChem CID 142271185) has the molecular formula C8H21N2OP and a molecular weight of 192.24 g/mol. Its IUPAC name is N-[tert-butyl(ethylamino)phosphoryl]ethanamine.

Molecular Properties

Compound NameN-[tert-butyl(ethylamino)phosphoryl]ethanamine
PubChem CID142271185
Molecular FormulaC8H21N2OP
Molecular Weight192.24 g/mol
Exact Mass192.14
IUPAC NameN-[tert-butyl(ethylamino)phosphoryl]ethanamine
SMILESCCNP(=O)(NCC)C(C)(C)C
InChIInChI=1S/C8H21N2OP/c1-6-9-12(11,10-7-2)8(3,4)5/h6-7H2,1-5H3,(H2,9,10,11)
InChIKeyCFNBXSORSRALEA-UHFFFAOYSA-N
XLogP2.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[tert-butyl(ethylamino)phosphoryl]ethanamine?
The IUPAC name of N-[tert-butyl(ethylamino)phosphoryl]ethanamine (CID 142271185) is N-[tert-butyl(ethylamino)phosphoryl]ethanamine.
What is the SMILES notation for N-[tert-butyl(ethylamino)phosphoryl]ethanamine?
The canonical SMILES for N-[tert-butyl(ethylamino)phosphoryl]ethanamine is CCNP(=O)(NCC)C(C)(C)C.
What is the InChIKey of N-[tert-butyl(ethylamino)phosphoryl]ethanamine?
The InChIKey is CFNBXSORSRALEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N2OP/c1-6-9-12(11,10-7-2)8(3,4)5/h6-7H2,1-5H3,(H2,9,10,11).
What are the key properties of N-[tert-butyl(ethylamino)phosphoryl]ethanamine?
N-[tert-butyl(ethylamino)phosphoryl]ethanamine has a molecular weight of 192.24 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[tert-butyl(ethylamino)phosphoryl]ethanamine is sourced from PubChem (CID 142271185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).