N-tert-butyl-2-methyl-4-propan-2-yloxybutan-2-amine

C12H27NO — CID 166110640

IUPACN-tert-butyl-2-methyl-4-propan-2-yloxybutan-2-amine
SMILESCC(C)OCCC(C)(C)NC(C)(C)C
InChIInChI=1S/C12H27NO/c1-10(2)14-9-8-12(6,7)13-11(3,4)5/h10,13H,8-9H2,1-7H3
InChIKeyGGINTSZJRBTMEA-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.97
Rot. Bonds5

About N-tert-butyl-2-methyl-4-propan-2-yloxybutan-2-amine

N-tert-butyl-2-methyl-4-propan-2-yloxybutan-2-amine (PubChem CID 166110640) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is N-tert-butyl-2-methyl-4-propan-2-yloxybutan-2-amine.

Molecular Properties

Compound NameN-tert-butyl-2-methyl-4-propan-2-yloxybutan-2-amine
PubChem CID166110640
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC NameN-tert-butyl-2-methyl-4-propan-2-yloxybutan-2-amine
SMILESCC(C)OCCC(C)(C)NC(C)(C)C
InChIInChI=1S/C12H27NO/c1-10(2)14-9-8-12(6,7)13-11(3,4)5/h10,13H,8-9H2,1-7H3
InChIKeyGGINTSZJRBTMEA-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methyl-4-propan-2-yloxybutan-2-amine?
The IUPAC name of N-tert-butyl-2-methyl-4-propan-2-yloxybutan-2-amine (CID 166110640) is N-tert-butyl-2-methyl-4-propan-2-yloxybutan-2-amine.
What is the SMILES notation for N-tert-butyl-2-methyl-4-propan-2-yloxybutan-2-amine?
The canonical SMILES for N-tert-butyl-2-methyl-4-propan-2-yloxybutan-2-amine is CC(C)OCCC(C)(C)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-methyl-4-propan-2-yloxybutan-2-amine?
The InChIKey is GGINTSZJRBTMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-10(2)14-9-8-12(6,7)13-11(3,4)5/h10,13H,8-9H2,1-7H3.
What are the key properties of N-tert-butyl-2-methyl-4-propan-2-yloxybutan-2-amine?
N-tert-butyl-2-methyl-4-propan-2-yloxybutan-2-amine has a molecular weight of 201.35 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methyl-4-propan-2-yloxybutan-2-amine is sourced from PubChem (CID 166110640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).