N-[3-(2-methylbutoxy)propyl]formamide

C9H19NO2 — CID 90045792

IUPACN-[3-(2-methylbutoxy)propyl]formamide
SMILESCCC(C)COCCCNC=O
InChIInChI=1S/C9H19NO2/c1-3-9(2)7-12-6-4-5-10-8-11/h8-9H,3-7H2,1-2H3,(H,10,11)
InChIKeyWTDODQGDZCKBQO-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.19
Rot. Bonds8

About N-[3-(2-methylbutoxy)propyl]formamide

N-[3-(2-methylbutoxy)propyl]formamide (PubChem CID 90045792) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is N-[3-(2-methylbutoxy)propyl]formamide.

Molecular Properties

Compound NameN-[3-(2-methylbutoxy)propyl]formamide
PubChem CID90045792
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC NameN-[3-(2-methylbutoxy)propyl]formamide
SMILESCCC(C)COCCCNC=O
InChIInChI=1S/C9H19NO2/c1-3-9(2)7-12-6-4-5-10-8-11/h8-9H,3-7H2,1-2H3,(H,10,11)
InChIKeyWTDODQGDZCKBQO-UHFFFAOYSA-N
XLogP1.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylbutoxy)propyl]formamide?
The IUPAC name of N-[3-(2-methylbutoxy)propyl]formamide (CID 90045792) is N-[3-(2-methylbutoxy)propyl]formamide.
What is the SMILES notation for N-[3-(2-methylbutoxy)propyl]formamide?
The canonical SMILES for N-[3-(2-methylbutoxy)propyl]formamide is CCC(C)COCCCNC=O.
What is the InChIKey of N-[3-(2-methylbutoxy)propyl]formamide?
The InChIKey is WTDODQGDZCKBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-3-9(2)7-12-6-4-5-10-8-11/h8-9H,3-7H2,1-2H3,(H,10,11).
What are the key properties of N-[3-(2-methylbutoxy)propyl]formamide?
N-[3-(2-methylbutoxy)propyl]formamide has a molecular weight of 173.26 g/mol, XLogP of 1.19, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylbutoxy)propyl]formamide is sourced from PubChem (CID 90045792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).