1-N-methyl-2-N-[(2-phosphanylpyrimidin-4-yl)methyl]cyclohexane-1,2-diamine

C12H21N4P — CID 170325251

IUPAC1-N-methyl-2-N-[(2-phosphanylpyrimidin-4-yl)methyl]cyclohexane-1,2-diamine
SMILESCNC1CCCCC1NCc1ccnc(P)n1
InChIInChI=1S/C12H21N4P/c1-13-10-4-2-3-5-11(10)15-8-9-6-7-14-12(17)16-9/h6-7,10-11,13,15H,2-5,8,17H2,1H3
InChIKeyOLSFFRJGYIDXLP-UHFFFAOYSA-N
MW252.30 g/mol
LogP0.60
Rot. Bonds4

About 1-N-methyl-2-N-[(2-phosphanylpyrimidin-4-yl)methyl]cyclohexane-1,2-diamine

1-N-methyl-2-N-[(2-phosphanylpyrimidin-4-yl)methyl]cyclohexane-1,2-diamine (PubChem CID 170325251) has the molecular formula C12H21N4P and a molecular weight of 252.30 g/mol. Its IUPAC name is 1-N-methyl-2-N-[(2-phosphanylpyrimidin-4-yl)methyl]cyclohexane-1,2-diamine.

Molecular Properties

Compound Name1-N-methyl-2-N-[(2-phosphanylpyrimidin-4-yl)methyl]cyclohexane-1,2-diamine
PubChem CID170325251
Molecular FormulaC12H21N4P
Molecular Weight252.30 g/mol
Exact Mass252.15
IUPAC Name1-N-methyl-2-N-[(2-phosphanylpyrimidin-4-yl)methyl]cyclohexane-1,2-diamine
SMILESCNC1CCCCC1NCc1ccnc(P)n1
InChIInChI=1S/C12H21N4P/c1-13-10-4-2-3-5-11(10)15-8-9-6-7-14-12(17)16-9/h6-7,10-11,13,15H,2-5,8,17H2,1H3
InChIKeyOLSFFRJGYIDXLP-UHFFFAOYSA-N
XLogP0.60
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-2-N-[(2-phosphanylpyrimidin-4-yl)methyl]cyclohexane-1,2-diamine?
The IUPAC name of 1-N-methyl-2-N-[(2-phosphanylpyrimidin-4-yl)methyl]cyclohexane-1,2-diamine (CID 170325251) is 1-N-methyl-2-N-[(2-phosphanylpyrimidin-4-yl)methyl]cyclohexane-1,2-diamine.
What is the SMILES notation for 1-N-methyl-2-N-[(2-phosphanylpyrimidin-4-yl)methyl]cyclohexane-1,2-diamine?
The canonical SMILES for 1-N-methyl-2-N-[(2-phosphanylpyrimidin-4-yl)methyl]cyclohexane-1,2-diamine is CNC1CCCCC1NCc1ccnc(P)n1.
What is the InChIKey of 1-N-methyl-2-N-[(2-phosphanylpyrimidin-4-yl)methyl]cyclohexane-1,2-diamine?
The InChIKey is OLSFFRJGYIDXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N4P/c1-13-10-4-2-3-5-11(10)15-8-9-6-7-14-12(17)16-9/h6-7,10-11,13,15H,2-5,8,17H2,1H3.
What are the key properties of 1-N-methyl-2-N-[(2-phosphanylpyrimidin-4-yl)methyl]cyclohexane-1,2-diamine?
1-N-methyl-2-N-[(2-phosphanylpyrimidin-4-yl)methyl]cyclohexane-1,2-diamine has a molecular weight of 252.30 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-2-N-[(2-phosphanylpyrimidin-4-yl)methyl]cyclohexane-1,2-diamine is sourced from PubChem (CID 170325251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).