(2,4-dimethyl-1,3-diazepin-4-yl)-methylphosphane

C8H13N2P — CID 142254158

IUPAC(2,4-dimethyl-1,3-diazepin-4-yl)-methylphosphane
SMILESCPC1(C)C=CC=NC(C)=N1
InChIInChI=1S/C8H13N2P/c1-7-9-6-4-5-8(2,10-7)11-3/h4-6,11H,1-3H3
InChIKeyCWZZFWGCINKHLC-UHFFFAOYSA-N
MW168.18 g/mol
LogP2.07
Rot. Bonds1

About (2,4-dimethyl-1,3-diazepin-4-yl)-methylphosphane

(2,4-dimethyl-1,3-diazepin-4-yl)-methylphosphane (PubChem CID 142254158) has the molecular formula C8H13N2P and a molecular weight of 168.18 g/mol. Its IUPAC name is (2,4-dimethyl-1,3-diazepin-4-yl)-methylphosphane.

Molecular Properties

Compound Name(2,4-dimethyl-1,3-diazepin-4-yl)-methylphosphane
PubChem CID142254158
Molecular FormulaC8H13N2P
Molecular Weight168.18 g/mol
Exact Mass168.08
IUPAC Name(2,4-dimethyl-1,3-diazepin-4-yl)-methylphosphane
SMILESCPC1(C)C=CC=NC(C)=N1
InChIInChI=1S/C8H13N2P/c1-7-9-6-4-5-8(2,10-7)11-3/h4-6,11H,1-3H3
InChIKeyCWZZFWGCINKHLC-UHFFFAOYSA-N
XLogP2.07
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.18
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3E,6Z)-N-propyl-5H-azocin-2-imine
CID 123511104
2,4-dimethyl-4H-1,3-diazepine
CID 142144595
2,4,4-Trimethyl-1,3-diazepine
CID 143263086
CID 155579850
CID 155579850
(4R)-4-methyl-4H-1,3-diazepine
CID 170153763
2,4-dimethyl-4H-1,3-diazepine;ethane
CID 176556944

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-1,3-diazepin-4-yl)-methylphosphane?
The IUPAC name of (2,4-dimethyl-1,3-diazepin-4-yl)-methylphosphane (CID 142254158) is (2,4-dimethyl-1,3-diazepin-4-yl)-methylphosphane.
What is the SMILES notation for (2,4-dimethyl-1,3-diazepin-4-yl)-methylphosphane?
The canonical SMILES for (2,4-dimethyl-1,3-diazepin-4-yl)-methylphosphane is CPC1(C)C=CC=NC(C)=N1.
What is the InChIKey of (2,4-dimethyl-1,3-diazepin-4-yl)-methylphosphane?
The InChIKey is CWZZFWGCINKHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N2P/c1-7-9-6-4-5-8(2,10-7)11-3/h4-6,11H,1-3H3.
What are the key properties of (2,4-dimethyl-1,3-diazepin-4-yl)-methylphosphane?
(2,4-dimethyl-1,3-diazepin-4-yl)-methylphosphane has a molecular weight of 168.18 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-1,3-diazepin-4-yl)-methylphosphane is sourced from PubChem (CID 142254158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).