N-(phosphorosomethyl)propan-2-amine

C4H10NOP — CID 163417099

IUPACN-(phosphorosomethyl)propan-2-amine
SMILESCC(C)NCP=O
InChIInChI=1S/C4H10NOP/c1-4(2)5-3-7-6/h4-5H,3H2,1-2H3
InChIKeyAFINYJKFFUJURN-UHFFFAOYSA-N
MW119.10 g/mol
LogP1.23
Rot. Bonds3

About N-(phosphorosomethyl)propan-2-amine

N-(phosphorosomethyl)propan-2-amine (PubChem CID 163417099) has the molecular formula C4H10NOP and a molecular weight of 119.10 g/mol. Its IUPAC name is N-(phosphorosomethyl)propan-2-amine.

Molecular Properties

Compound NameN-(phosphorosomethyl)propan-2-amine
PubChem CID163417099
Molecular FormulaC4H10NOP
Molecular Weight119.10 g/mol
Exact Mass119.05
IUPAC NameN-(phosphorosomethyl)propan-2-amine
SMILESCC(C)NCP=O
InChIInChI=1S/C4H10NOP/c1-4(2)5-3-7-6/h4-5H,3H2,1-2H3
InChIKeyAFINYJKFFUJURN-UHFFFAOYSA-N
XLogP1.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.10
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 76085165
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CID 20668937
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CID 20737684
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CID 20772096
CID 20772096
CID 22976169
CID 22976169
CID 89408118
CID 89408118
CID 90309912
CID 90309912
CID 91045104
CID 91045104
CID 122537109
CID 122537109
CID 134536303
CID 134536303
CID 140343188
CID 140343188

Frequently Asked Questions

What is the IUPAC name of N-(phosphorosomethyl)propan-2-amine?
The IUPAC name of N-(phosphorosomethyl)propan-2-amine (CID 163417099) is N-(phosphorosomethyl)propan-2-amine.
What is the SMILES notation for N-(phosphorosomethyl)propan-2-amine?
The canonical SMILES for N-(phosphorosomethyl)propan-2-amine is CC(C)NCP=O.
What is the InChIKey of N-(phosphorosomethyl)propan-2-amine?
The InChIKey is AFINYJKFFUJURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10NOP/c1-4(2)5-3-7-6/h4-5H,3H2,1-2H3.
What are the key properties of N-(phosphorosomethyl)propan-2-amine?
N-(phosphorosomethyl)propan-2-amine has a molecular weight of 119.10 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(phosphorosomethyl)propan-2-amine is sourced from PubChem (CID 163417099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).