3-(3-methylnonan-3-yl)azetidine-1-carboxamide

C14H28N2O — CID 137385569

IUPAC3-(3-methylnonan-3-yl)azetidine-1-carboxamide
SMILESCCCCCCC(C)(CC)C1CN(C(N)=O)C1
InChIInChI=1S/C14H28N2O/c1-4-6-7-8-9-14(3,5-2)12-10-16(11-12)13(15)17/h12H,4-11H2,1-3H3,(H2,15,17)
InChIKeyOGEPWGOGWIKHQI-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.38
Rot. Bonds7

About 3-(3-methylnonan-3-yl)azetidine-1-carboxamide

3-(3-methylnonan-3-yl)azetidine-1-carboxamide (PubChem CID 137385569) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 3-(3-methylnonan-3-yl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-(3-methylnonan-3-yl)azetidine-1-carboxamide
PubChem CID137385569
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name3-(3-methylnonan-3-yl)azetidine-1-carboxamide
SMILESCCCCCCC(C)(CC)C1CN(C(N)=O)C1
InChIInChI=1S/C14H28N2O/c1-4-6-7-8-9-14(3,5-2)12-10-16(11-12)13(15)17/h12H,4-11H2,1-3H3,(H2,15,17)
InChIKeyOGEPWGOGWIKHQI-UHFFFAOYSA-N
XLogP3.38
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylnonan-3-yl)azetidine-1-carboxamide?
The IUPAC name of 3-(3-methylnonan-3-yl)azetidine-1-carboxamide (CID 137385569) is 3-(3-methylnonan-3-yl)azetidine-1-carboxamide.
What is the SMILES notation for 3-(3-methylnonan-3-yl)azetidine-1-carboxamide?
The canonical SMILES for 3-(3-methylnonan-3-yl)azetidine-1-carboxamide is CCCCCCC(C)(CC)C1CN(C(N)=O)C1.
What is the InChIKey of 3-(3-methylnonan-3-yl)azetidine-1-carboxamide?
The InChIKey is OGEPWGOGWIKHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-4-6-7-8-9-14(3,5-2)12-10-16(11-12)13(15)17/h12H,4-11H2,1-3H3,(H2,15,17).
What are the key properties of 3-(3-methylnonan-3-yl)azetidine-1-carboxamide?
3-(3-methylnonan-3-yl)azetidine-1-carboxamide has a molecular weight of 240.39 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylnonan-3-yl)azetidine-1-carboxamide is sourced from PubChem (CID 137385569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).