N-butyl-1-phosphanylformamide

C5H12NOP — CID 89204579

IUPACN-butyl-1-phosphanylformamide
SMILESCCCCNC(=O)P
InChIInChI=1S/C5H12NOP/c1-2-3-4-6-5(7)8/h2-4,8H2,1H3,(H,6,7)
InChIKeyTWEYXXWIFUUQAC-UHFFFAOYSA-N
MW133.13 g/mol
LogP1.37
Rot. Bonds3

About N-butyl-1-phosphanylformamide

N-butyl-1-phosphanylformamide (PubChem CID 89204579) has the molecular formula C5H12NOP and a molecular weight of 133.13 g/mol. Its IUPAC name is N-butyl-1-phosphanylformamide.

Molecular Properties

Compound NameN-butyl-1-phosphanylformamide
PubChem CID89204579
Molecular FormulaC5H12NOP
Molecular Weight133.13 g/mol
Exact Mass133.07
IUPAC NameN-butyl-1-phosphanylformamide
SMILESCCCCNC(=O)P
InChIInChI=1S/C5H12NOP/c1-2-3-4-6-5(7)8/h2-4,8H2,1H3,(H,6,7)
InChIKeyTWEYXXWIFUUQAC-UHFFFAOYSA-N
XLogP1.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.13
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

butylcarbamic acid
CID 3026651
1-butyl-3-[4-(butylcarbamoylamino)butyl]urea
CID 161375219
butylcarbamic acid;zinc
CID 141049802
butylcarbamoylazanium
CID 143909883
N-butylcarbamoyl chloride
CID 14251115
N-(1-phosphanylethenyl)butan-1-amine
CID 170236223
phosphanyl N-butylcarbamate
CID 89204581
1-butyl-3-octylurea
CID 17269600
N-butyl-N'-pentylpropanediamide
CID 89202031
N-butylacetamide;molecular hydrogen
CID 142252069
1-butyl-3-methylurea;hydrochloride
CID 20501295
N-butyl-3-oxobutanamide
CID 5161533

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-phosphanylformamide?
The IUPAC name of N-butyl-1-phosphanylformamide (CID 89204579) is N-butyl-1-phosphanylformamide.
What is the SMILES notation for N-butyl-1-phosphanylformamide?
The canonical SMILES for N-butyl-1-phosphanylformamide is CCCCNC(=O)P.
What is the InChIKey of N-butyl-1-phosphanylformamide?
The InChIKey is TWEYXXWIFUUQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12NOP/c1-2-3-4-6-5(7)8/h2-4,8H2,1H3,(H,6,7).
What are the key properties of N-butyl-1-phosphanylformamide?
N-butyl-1-phosphanylformamide has a molecular weight of 133.13 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-phosphanylformamide is sourced from PubChem (CID 89204579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).