2-(1,3-dimethylcyclobutyl)-N-methyl-N-methylphosphanylethanamine;ethane

C12H28NP — CID 153390707

IUPAC2-(1,3-dimethylcyclobutyl)-N-methyl-N-methylphosphanylethanamine;ethane
SMILESCC.CPN(C)CCC1(C)CC(C)C1
InChIInChI=1S/C10H22NP.C2H6/c1-9-7-10(2,8-9)5-6-11(3)12-4;1-2/h9,12H,5-8H2,1-4H3;1-2H3
InChIKeyMXZNIETWTAHWGX-UHFFFAOYSA-N
MW217.34 g/mol
LogP3.99
Rot. Bonds4

About 2-(1,3-dimethylcyclobutyl)-N-methyl-N-methylphosphanylethanamine;ethane

2-(1,3-dimethylcyclobutyl)-N-methyl-N-methylphosphanylethanamine;ethane (PubChem CID 153390707) has the molecular formula C12H28NP and a molecular weight of 217.34 g/mol. Its IUPAC name is 2-(1,3-dimethylcyclobutyl)-N-methyl-N-methylphosphanylethanamine;ethane.

Molecular Properties

Compound Name2-(1,3-dimethylcyclobutyl)-N-methyl-N-methylphosphanylethanamine;ethane
PubChem CID153390707
Molecular FormulaC12H28NP
Molecular Weight217.34 g/mol
Exact Mass217.20
IUPAC Name2-(1,3-dimethylcyclobutyl)-N-methyl-N-methylphosphanylethanamine;ethane
SMILESCC.CPN(C)CCC1(C)CC(C)C1
InChIInChI=1S/C10H22NP.C2H6/c1-9-7-10(2,8-9)5-6-11(3)12-4;1-2/h9,12H,5-8H2,1-4H3;1-2H3
InChIKeyMXZNIETWTAHWGX-UHFFFAOYSA-N
XLogP3.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.34
LogP ≤ 53.99
H-Bond Donors ≤ 50
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 2-(1,3-dimethylcyclobutyl)-N-methyl-N-methylphosphanylethanamine;ethane?
The IUPAC name of 2-(1,3-dimethylcyclobutyl)-N-methyl-N-methylphosphanylethanamine;ethane (CID 153390707) is 2-(1,3-dimethylcyclobutyl)-N-methyl-N-methylphosphanylethanamine;ethane.
What is the SMILES notation for 2-(1,3-dimethylcyclobutyl)-N-methyl-N-methylphosphanylethanamine;ethane?
The canonical SMILES for 2-(1,3-dimethylcyclobutyl)-N-methyl-N-methylphosphanylethanamine;ethane is CC.CPN(C)CCC1(C)CC(C)C1.
What is the InChIKey of 2-(1,3-dimethylcyclobutyl)-N-methyl-N-methylphosphanylethanamine;ethane?
The InChIKey is MXZNIETWTAHWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22NP.C2H6/c1-9-7-10(2,8-9)5-6-11(3)12-4;1-2/h9,12H,5-8H2,1-4H3;1-2H3.
What are the key properties of 2-(1,3-dimethylcyclobutyl)-N-methyl-N-methylphosphanylethanamine;ethane?
2-(1,3-dimethylcyclobutyl)-N-methyl-N-methylphosphanylethanamine;ethane has a molecular weight of 217.34 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethylcyclobutyl)-N-methyl-N-methylphosphanylethanamine;ethane is sourced from PubChem (CID 153390707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).