2-tert-butyl-N,N,3,3-tetramethylbutan-1-amine

C12H27N — CID 121014193

IUPAC2-tert-butyl-N,N,3,3-tetramethylbutan-1-amine
SMILESCN(C)CC(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H27N/c1-11(2,3)10(9-13(7)8)12(4,5)6/h10H,9H2,1-8H3
InChIKeyRRMXXUJBNKQVIF-UHFFFAOYSA-N
MW185.35 g/mol
LogP3.26
Rot. Bonds2

About 2-tert-butyl-N,N,3,3-tetramethylbutan-1-amine

2-tert-butyl-N,N,3,3-tetramethylbutan-1-amine (PubChem CID 121014193) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is 2-tert-butyl-N,N,3,3-tetramethylbutan-1-amine.

Molecular Properties

Compound Name2-tert-butyl-N,N,3,3-tetramethylbutan-1-amine
PubChem CID121014193
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC Name2-tert-butyl-N,N,3,3-tetramethylbutan-1-amine
SMILESCN(C)CC(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H27N/c1-11(2,3)10(9-13(7)8)12(4,5)6/h10H,9H2,1-8H3
InChIKeyRRMXXUJBNKQVIF-UHFFFAOYSA-N
XLogP3.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N,N,3,3-tetramethylbutan-1-amine?
The IUPAC name of 2-tert-butyl-N,N,3,3-tetramethylbutan-1-amine (CID 121014193) is 2-tert-butyl-N,N,3,3-tetramethylbutan-1-amine.
What is the SMILES notation for 2-tert-butyl-N,N,3,3-tetramethylbutan-1-amine?
The canonical SMILES for 2-tert-butyl-N,N,3,3-tetramethylbutan-1-amine is CN(C)CC(C(C)(C)C)C(C)(C)C.
What is the InChIKey of 2-tert-butyl-N,N,3,3-tetramethylbutan-1-amine?
The InChIKey is RRMXXUJBNKQVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N/c1-11(2,3)10(9-13(7)8)12(4,5)6/h10H,9H2,1-8H3.
What are the key properties of 2-tert-butyl-N,N,3,3-tetramethylbutan-1-amine?
2-tert-butyl-N,N,3,3-tetramethylbutan-1-amine has a molecular weight of 185.35 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N,N,3,3-tetramethylbutan-1-amine is sourced from PubChem (CID 121014193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).