N-[(tert-butylamino)-methylphosphanyl]-2-methylpropan-2-amine

C9H23N2P — CID 13417531

IUPACN-[(tert-butylamino)-methylphosphanyl]-2-methylpropan-2-amine
SMILESCP(NC(C)(C)C)NC(C)(C)C
InChIInChI=1S/C9H23N2P/c1-8(2,3)10-12(7)11-9(4,5)6/h10-11H,1-7H3
InChIKeyOOVRPBISWDSGAR-UHFFFAOYSA-N
MW190.27 g/mol
LogP2.70
Rot. Bonds2

About N-[(tert-butylamino)-methylphosphanyl]-2-methylpropan-2-amine

N-[(tert-butylamino)-methylphosphanyl]-2-methylpropan-2-amine (PubChem CID 13417531) has the molecular formula C9H23N2P and a molecular weight of 190.27 g/mol. Its IUPAC name is N-[(tert-butylamino)-methylphosphanyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(tert-butylamino)-methylphosphanyl]-2-methylpropan-2-amine
PubChem CID13417531
Molecular FormulaC9H23N2P
Molecular Weight190.27 g/mol
Exact Mass190.16
IUPAC NameN-[(tert-butylamino)-methylphosphanyl]-2-methylpropan-2-amine
SMILESCP(NC(C)(C)C)NC(C)(C)C
InChIInChI=1S/C9H23N2P/c1-8(2,3)10-12(7)11-9(4,5)6/h10-11H,1-7H3
InChIKeyOOVRPBISWDSGAR-UHFFFAOYSA-N
XLogP2.70
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-butylamino)-methylphosphanyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(tert-butylamino)-methylphosphanyl]-2-methylpropan-2-amine (CID 13417531) is N-[(tert-butylamino)-methylphosphanyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(tert-butylamino)-methylphosphanyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(tert-butylamino)-methylphosphanyl]-2-methylpropan-2-amine is CP(NC(C)(C)C)NC(C)(C)C.
What is the InChIKey of N-[(tert-butylamino)-methylphosphanyl]-2-methylpropan-2-amine?
The InChIKey is OOVRPBISWDSGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23N2P/c1-8(2,3)10-12(7)11-9(4,5)6/h10-11H,1-7H3.
What are the key properties of N-[(tert-butylamino)-methylphosphanyl]-2-methylpropan-2-amine?
N-[(tert-butylamino)-methylphosphanyl]-2-methylpropan-2-amine has a molecular weight of 190.27 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(tert-butylamino)-methylphosphanyl]-2-methylpropan-2-amine is sourced from PubChem (CID 13417531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).