3-tert-butyl-N-methylcyclobutan-1-amine

C9H19N — CID 59553944

IUPAC3-tert-butyl-N-methylcyclobutan-1-amine
SMILESCNC1CC(C(C)(C)C)C1
InChIInChI=1S/C9H19N/c1-9(2,3)7-5-8(6-7)10-4/h7-8,10H,5-6H2,1-4H3
InChIKeyQZPFLLDEOOKPGS-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.03
Rot. Bonds1

About 3-tert-butyl-N-methylcyclobutan-1-amine

3-tert-butyl-N-methylcyclobutan-1-amine (PubChem CID 59553944) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is 3-tert-butyl-N-methylcyclobutan-1-amine.

Molecular Properties

Compound Name3-tert-butyl-N-methylcyclobutan-1-amine
PubChem CID59553944
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name3-tert-butyl-N-methylcyclobutan-1-amine
SMILESCNC1CC(C(C)(C)C)C1
InChIInChI=1S/C9H19N/c1-9(2,3)7-5-8(6-7)10-4/h7-8,10H,5-6H2,1-4H3
InChIKeyQZPFLLDEOOKPGS-UHFFFAOYSA-N
XLogP2.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-methylcyclobutan-1-amine?
The IUPAC name of 3-tert-butyl-N-methylcyclobutan-1-amine (CID 59553944) is 3-tert-butyl-N-methylcyclobutan-1-amine.
What is the SMILES notation for 3-tert-butyl-N-methylcyclobutan-1-amine?
The canonical SMILES for 3-tert-butyl-N-methylcyclobutan-1-amine is CNC1CC(C(C)(C)C)C1.
What is the InChIKey of 3-tert-butyl-N-methylcyclobutan-1-amine?
The InChIKey is QZPFLLDEOOKPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-9(2,3)7-5-8(6-7)10-4/h7-8,10H,5-6H2,1-4H3.
What are the key properties of 3-tert-butyl-N-methylcyclobutan-1-amine?
3-tert-butyl-N-methylcyclobutan-1-amine has a molecular weight of 141.26 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-methylcyclobutan-1-amine is sourced from PubChem (CID 59553944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).