N-tert-butyl-3-methyl-N-propan-2-ylbut-2-en-2-amine

C12H25N — CID 126735403

IUPACN-tert-butyl-3-methyl-N-propan-2-ylbut-2-en-2-amine
SMILESCC(C)=C(C)N(C(C)C)C(C)(C)C
InChIInChI=1S/C12H25N/c1-9(2)11(5)13(10(3)4)12(6,7)8/h10H,1-8H3
InChIKeyIAWCFLWMOGPAPC-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.81
Rot. Bonds2

About N-tert-butyl-3-methyl-N-propan-2-ylbut-2-en-2-amine

N-tert-butyl-3-methyl-N-propan-2-ylbut-2-en-2-amine (PubChem CID 126735403) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is N-tert-butyl-3-methyl-N-propan-2-ylbut-2-en-2-amine.

Molecular Properties

Compound NameN-tert-butyl-3-methyl-N-propan-2-ylbut-2-en-2-amine
PubChem CID126735403
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC NameN-tert-butyl-3-methyl-N-propan-2-ylbut-2-en-2-amine
SMILESCC(C)=C(C)N(C(C)C)C(C)(C)C
InChIInChI=1S/C12H25N/c1-9(2)11(5)13(10(3)4)12(6,7)8/h10H,1-8H3
InChIKeyIAWCFLWMOGPAPC-UHFFFAOYSA-N
XLogP3.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-methyl-N-propan-2-ylbut-2-en-2-amine?
The IUPAC name of N-tert-butyl-3-methyl-N-propan-2-ylbut-2-en-2-amine (CID 126735403) is N-tert-butyl-3-methyl-N-propan-2-ylbut-2-en-2-amine.
What is the SMILES notation for N-tert-butyl-3-methyl-N-propan-2-ylbut-2-en-2-amine?
The canonical SMILES for N-tert-butyl-3-methyl-N-propan-2-ylbut-2-en-2-amine is CC(C)=C(C)N(C(C)C)C(C)(C)C.
What is the InChIKey of N-tert-butyl-3-methyl-N-propan-2-ylbut-2-en-2-amine?
The InChIKey is IAWCFLWMOGPAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-9(2)11(5)13(10(3)4)12(6,7)8/h10H,1-8H3.
What are the key properties of N-tert-butyl-3-methyl-N-propan-2-ylbut-2-en-2-amine?
N-tert-butyl-3-methyl-N-propan-2-ylbut-2-en-2-amine has a molecular weight of 183.34 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-methyl-N-propan-2-ylbut-2-en-2-amine is sourced from PubChem (CID 126735403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).