(4-methyl-1-phosphanylpiperazin-2-yl)methanamine

C6H16N3P — CID 142243069

IUPAC(4-methyl-1-phosphanylpiperazin-2-yl)methanamine
SMILESCN1CCN(P)C(CN)C1
InChIInChI=1S/C6H16N3P/c1-8-2-3-9(10)6(4-7)5-8/h6H,2-5,7,10H2,1H3
InChIKeyGVDGYAKDBPPNJC-UHFFFAOYSA-N
MW161.19 g/mol
LogP-0.65
Rot. Bonds1

About (4-methyl-1-phosphanylpiperazin-2-yl)methanamine

(4-methyl-1-phosphanylpiperazin-2-yl)methanamine (PubChem CID 142243069) has the molecular formula C6H16N3P and a molecular weight of 161.19 g/mol. Its IUPAC name is (4-methyl-1-phosphanylpiperazin-2-yl)methanamine.

Molecular Properties

Compound Name(4-methyl-1-phosphanylpiperazin-2-yl)methanamine
PubChem CID142243069
Molecular FormulaC6H16N3P
Molecular Weight161.19 g/mol
Exact Mass161.11
IUPAC Name(4-methyl-1-phosphanylpiperazin-2-yl)methanamine
SMILESCN1CCN(P)C(CN)C1
InChIInChI=1S/C6H16N3P/c1-8-2-3-9(10)6(4-7)5-8/h6H,2-5,7,10H2,1H3
InChIKeyGVDGYAKDBPPNJC-UHFFFAOYSA-N
XLogP-0.65
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.19
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-1-phosphanylpiperazin-2-yl)methanamine?
The IUPAC name of (4-methyl-1-phosphanylpiperazin-2-yl)methanamine (CID 142243069) is (4-methyl-1-phosphanylpiperazin-2-yl)methanamine.
What is the SMILES notation for (4-methyl-1-phosphanylpiperazin-2-yl)methanamine?
The canonical SMILES for (4-methyl-1-phosphanylpiperazin-2-yl)methanamine is CN1CCN(P)C(CN)C1.
What is the InChIKey of (4-methyl-1-phosphanylpiperazin-2-yl)methanamine?
The InChIKey is GVDGYAKDBPPNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N3P/c1-8-2-3-9(10)6(4-7)5-8/h6H,2-5,7,10H2,1H3.
What are the key properties of (4-methyl-1-phosphanylpiperazin-2-yl)methanamine?
(4-methyl-1-phosphanylpiperazin-2-yl)methanamine has a molecular weight of 161.19 g/mol, XLogP of -0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1-phosphanylpiperazin-2-yl)methanamine is sourced from PubChem (CID 142243069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).