bis(2-methylpropyl)carbamoyl-oxophosphanium

C9H19NO2P+ — CID 149152726

IUPACbis(2-methylpropyl)carbamoyl-oxophosphanium
SMILESCC(C)CN(CC(C)C)C(=O)[PH+]=O
InChIInChI=1S/C9H18NO2P/c1-7(2)5-10(6-8(3)4)9(11)13-12/h7-8H,5-6H2,1-4H3/p+1
InChIKeyWJECEIHSFQEPSA-UHFFFAOYSA-O
MW204.23 g/mol
LogP2.74
Rot. Bonds5

About bis(2-methylpropyl)carbamoyl-oxophosphanium

bis(2-methylpropyl)carbamoyl-oxophosphanium (PubChem CID 149152726) has the molecular formula C9H19NO2P+ and a molecular weight of 204.23 g/mol. Its IUPAC name is bis(2-methylpropyl)carbamoyl-oxophosphanium.

Molecular Properties

Compound Namebis(2-methylpropyl)carbamoyl-oxophosphanium
PubChem CID149152726
Molecular FormulaC9H19NO2P+
Molecular Weight204.23 g/mol
Exact Mass204.11
IUPAC Namebis(2-methylpropyl)carbamoyl-oxophosphanium
SMILESCC(C)CN(CC(C)C)C(=O)[PH+]=O
InChIInChI=1S/C9H18NO2P/c1-7(2)5-10(6-8(3)4)9(11)13-12/h7-8H,5-6H2,1-4H3/p+1
InChIKeyWJECEIHSFQEPSA-UHFFFAOYSA-O
XLogP2.74
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 52.74
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

N,N,N',N'-tetrakis(2-methylpropyl)oxamide
CID 4523531
S-methyl N,N-bis(2-methylpropyl)carbamothioate
CID 20780776
N,N-bis(2-methylpropyl)-2-oxopropanamide
CID 10910517
ethane;N-(2-hydroxyethyl)-N-(2-methylpropyl)acetamide
CID 177048994
(2R)-2-chloro-N,N-bis(2-methylpropyl)propanamide
CID 92660582
3-methyl-1,1-bis(2-methylpropyl)urea
CID 15539164
2-amino-N,N-bis(2-methylpropyl)propanamide
CID 43588746
N-ethyl-N-(2-methylpropyl)propanamide
CID 54345595
sulfanyl N,N-bis(2-methylpropyl)carbamate
CID 174893639
N-(3-bromo-2-oxopropyl)-N-(2-methylpropyl)acetamide
CID 104701294
S-ethyl N,N-bis(2-methylpropyl)carbamothioate;manganese
CID 88818458
N,N-bis(2-methylpropyl)-3-oxopropanamide
CID 89208373

Frequently Asked Questions

What is the IUPAC name of bis(2-methylpropyl)carbamoyl-oxophosphanium?
The IUPAC name of bis(2-methylpropyl)carbamoyl-oxophosphanium (CID 149152726) is bis(2-methylpropyl)carbamoyl-oxophosphanium.
What is the SMILES notation for bis(2-methylpropyl)carbamoyl-oxophosphanium?
The canonical SMILES for bis(2-methylpropyl)carbamoyl-oxophosphanium is CC(C)CN(CC(C)C)C(=O)[PH+]=O.
What is the InChIKey of bis(2-methylpropyl)carbamoyl-oxophosphanium?
The InChIKey is WJECEIHSFQEPSA-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H18NO2P/c1-7(2)5-10(6-8(3)4)9(11)13-12/h7-8H,5-6H2,1-4H3/p+1.
What are the key properties of bis(2-methylpropyl)carbamoyl-oxophosphanium?
bis(2-methylpropyl)carbamoyl-oxophosphanium has a molecular weight of 204.23 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylpropyl)carbamoyl-oxophosphanium is sourced from PubChem (CID 149152726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).