N-di(propan-2-yl)phosphorylmethanamine

C7H18NOP — CID 141327141

IUPACN-di(propan-2-yl)phosphorylmethanamine
SMILESCNP(=O)(C(C)C)C(C)C
InChIInChI=1S/C7H18NOP/c1-6(2)10(9,8-5)7(3)4/h6-7H,1-5H3,(H,8,9)
InChIKeyOPDHSZOLKKSQOA-UHFFFAOYSA-N
MW163.20 g/mol
LogP2.30
Rot. Bonds3

About N-di(propan-2-yl)phosphorylmethanamine

N-di(propan-2-yl)phosphorylmethanamine (PubChem CID 141327141) has the molecular formula C7H18NOP and a molecular weight of 163.20 g/mol. Its IUPAC name is N-di(propan-2-yl)phosphorylmethanamine.

Molecular Properties

Compound NameN-di(propan-2-yl)phosphorylmethanamine
PubChem CID141327141
Molecular FormulaC7H18NOP
Molecular Weight163.20 g/mol
Exact Mass163.11
IUPAC NameN-di(propan-2-yl)phosphorylmethanamine
SMILESCNP(=O)(C(C)C)C(C)C
InChIInChI=1S/C7H18NOP/c1-6(2)10(9,8-5)7(3)4/h6-7H,1-5H3,(H,8,9)
InChIKeyOPDHSZOLKKSQOA-UHFFFAOYSA-N
XLogP2.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.20
LogP ≤ 52.30
H-Bond Donors ≤ 51
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 N-di(propan-2-yl)phosphorylmethanamine?
The IUPAC name of N-di(propan-2-yl)phosphorylmethanamine (CID 141327141) is N-di(propan-2-yl)phosphorylmethanamine.
What is the SMILES notation for N-di(propan-2-yl)phosphorylmethanamine?
The canonical SMILES for N-di(propan-2-yl)phosphorylmethanamine is CNP(=O)(C(C)C)C(C)C.
What is the InChIKey of N-di(propan-2-yl)phosphorylmethanamine?
The InChIKey is OPDHSZOLKKSQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18NOP/c1-6(2)10(9,8-5)7(3)4/h6-7H,1-5H3,(H,8,9).
What are the key properties of N-di(propan-2-yl)phosphorylmethanamine?
N-di(propan-2-yl)phosphorylmethanamine has a molecular weight of 163.20 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-di(propan-2-yl)phosphorylmethanamine is sourced from PubChem (CID 141327141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).