N-tert-butyl-2,4,4-trimethyl-N-propan-2-ylpentan-2-amine

C15H33N — CID 155933733

IUPACN-tert-butyl-2,4,4-trimethyl-N-propan-2-ylpentan-2-amine
SMILESCC(C)N(C(C)(C)C)C(C)(C)CC(C)(C)C
InChIInChI=1S/C15H33N/c1-12(2)16(14(6,7)8)15(9,10)11-13(3,4)5/h12H,11H2,1-10H3
InChIKeyLEUMSOWXSDQAEO-UHFFFAOYSA-N
MW227.44 g/mol
LogP4.71
Rot. Bonds3

About N-tert-butyl-2,4,4-trimethyl-N-propan-2-ylpentan-2-amine

N-tert-butyl-2,4,4-trimethyl-N-propan-2-ylpentan-2-amine (PubChem CID 155933733) has the molecular formula C15H33N and a molecular weight of 227.44 g/mol. Its IUPAC name is N-tert-butyl-2,4,4-trimethyl-N-propan-2-ylpentan-2-amine.

Molecular Properties

Compound NameN-tert-butyl-2,4,4-trimethyl-N-propan-2-ylpentan-2-amine
PubChem CID155933733
Molecular FormulaC15H33N
Molecular Weight227.44 g/mol
Exact Mass227.26
IUPAC NameN-tert-butyl-2,4,4-trimethyl-N-propan-2-ylpentan-2-amine
SMILESCC(C)N(C(C)(C)C)C(C)(C)CC(C)(C)C
InChIInChI=1S/C15H33N/c1-12(2)16(14(6,7)8)15(9,10)11-13(3,4)5/h12H,11H2,1-10H3
InChIKeyLEUMSOWXSDQAEO-UHFFFAOYSA-N
XLogP4.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.44
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2,4,4-trimethyl-N-propan-2-ylpentan-2-amine?
The IUPAC name of N-tert-butyl-2,4,4-trimethyl-N-propan-2-ylpentan-2-amine (CID 155933733) is N-tert-butyl-2,4,4-trimethyl-N-propan-2-ylpentan-2-amine.
What is the SMILES notation for N-tert-butyl-2,4,4-trimethyl-N-propan-2-ylpentan-2-amine?
The canonical SMILES for N-tert-butyl-2,4,4-trimethyl-N-propan-2-ylpentan-2-amine is CC(C)N(C(C)(C)C)C(C)(C)CC(C)(C)C.
What is the InChIKey of N-tert-butyl-2,4,4-trimethyl-N-propan-2-ylpentan-2-amine?
The InChIKey is LEUMSOWXSDQAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N/c1-12(2)16(14(6,7)8)15(9,10)11-13(3,4)5/h12H,11H2,1-10H3.
What are the key properties of N-tert-butyl-2,4,4-trimethyl-N-propan-2-ylpentan-2-amine?
N-tert-butyl-2,4,4-trimethyl-N-propan-2-ylpentan-2-amine has a molecular weight of 227.44 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2,4,4-trimethyl-N-propan-2-ylpentan-2-amine is sourced from PubChem (CID 155933733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).