N-tert-butyl-2-methylbutan-2-amine

C9H21N — CID 16391

IUPACN-tert-butyl-2-methylbutan-2-amine
SMILESCCC(C)(C)NC(C)(C)C
InChIInChI=1S/C9H21N/c1-7-9(5,6)10-8(2,3)4/h10H,7H2,1-6H3
InChIKeyKZOPSPQZLMCNPF-UHFFFAOYSA-N
MW143.27 g/mol
LogP2.56
Rot. Bonds2

About N-tert-butyl-2-methylbutan-2-amine

N-tert-butyl-2-methylbutan-2-amine (PubChem CID 16391) has the molecular formula C9H21N and a molecular weight of 143.27 g/mol. Its IUPAC name is N-tert-butyl-2-methylbutan-2-amine.

Molecular Properties

Compound NameN-tert-butyl-2-methylbutan-2-amine
PubChem CID16391
Molecular FormulaC9H21N
Molecular Weight143.27 g/mol
Exact Mass143.17
IUPAC NameN-tert-butyl-2-methylbutan-2-amine
SMILESCCC(C)(C)NC(C)(C)C
InChIInChI=1S/C9H21N/c1-7-9(5,6)10-8(2,3)4/h10H,7H2,1-6H3
InChIKeyKZOPSPQZLMCNPF-UHFFFAOYSA-N
XLogP2.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.27
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methylbutan-2-amine?
The IUPAC name of N-tert-butyl-2-methylbutan-2-amine (CID 16391) is N-tert-butyl-2-methylbutan-2-amine.
What is the SMILES notation for N-tert-butyl-2-methylbutan-2-amine?
The canonical SMILES for N-tert-butyl-2-methylbutan-2-amine is CCC(C)(C)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-methylbutan-2-amine?
The InChIKey is KZOPSPQZLMCNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N/c1-7-9(5,6)10-8(2,3)4/h10H,7H2,1-6H3.
What are the key properties of N-tert-butyl-2-methylbutan-2-amine?
N-tert-butyl-2-methylbutan-2-amine has a molecular weight of 143.27 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methylbutan-2-amine is sourced from PubChem (CID 16391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).