N-tert-butyl-N,3,4,4-tetramethylpent-1-en-2-amine

C13H27N — CID 129093254

IUPACN-tert-butyl-N,3,4,4-tetramethylpent-1-en-2-amine
SMILESC=C(C(C)C(C)(C)C)N(C)C(C)(C)C
InChIInChI=1S/C13H27N/c1-10(12(3,4)5)11(2)14(9)13(6,7)8/h10H,2H2,1,3-9H3
InChIKeyFDAGZYVRUBBYIE-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.91
Rot. Bonds2

About N-tert-butyl-N,3,4,4-tetramethylpent-1-en-2-amine

N-tert-butyl-N,3,4,4-tetramethylpent-1-en-2-amine (PubChem CID 129093254) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is N-tert-butyl-N,3,4,4-tetramethylpent-1-en-2-amine.

Molecular Properties

Compound NameN-tert-butyl-N,3,4,4-tetramethylpent-1-en-2-amine
PubChem CID129093254
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC NameN-tert-butyl-N,3,4,4-tetramethylpent-1-en-2-amine
SMILESC=C(C(C)C(C)(C)C)N(C)C(C)(C)C
InChIInChI=1S/C13H27N/c1-10(12(3,4)5)11(2)14(9)13(6,7)8/h10H,2H2,1,3-9H3
InChIKeyFDAGZYVRUBBYIE-UHFFFAOYSA-N
XLogP3.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N,3,4,4-tetramethylpent-1-en-2-amine?
The IUPAC name of N-tert-butyl-N,3,4,4-tetramethylpent-1-en-2-amine (CID 129093254) is N-tert-butyl-N,3,4,4-tetramethylpent-1-en-2-amine.
What is the SMILES notation for N-tert-butyl-N,3,4,4-tetramethylpent-1-en-2-amine?
The canonical SMILES for N-tert-butyl-N,3,4,4-tetramethylpent-1-en-2-amine is C=C(C(C)C(C)(C)C)N(C)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N,3,4,4-tetramethylpent-1-en-2-amine?
The InChIKey is FDAGZYVRUBBYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-10(12(3,4)5)11(2)14(9)13(6,7)8/h10H,2H2,1,3-9H3.
What are the key properties of N-tert-butyl-N,3,4,4-tetramethylpent-1-en-2-amine?
N-tert-butyl-N,3,4,4-tetramethylpent-1-en-2-amine has a molecular weight of 197.37 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N,3,4,4-tetramethylpent-1-en-2-amine is sourced from PubChem (CID 129093254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).