2-tert-butyl-6-methyloxan-4-amine

C10H21NO — CID 117046202

IUPAC2-tert-butyl-6-methyloxan-4-amine
SMILESCC1CC(N)CC(C(C)(C)C)O1
InChIInChI=1S/C10H21NO/c1-7-5-8(11)6-9(12-7)10(2,3)4/h7-9H,5-6,11H2,1-4H3
InChIKeyWZEIHZYEVCJTGW-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.93
Rot. Bonds

About 2-tert-butyl-6-methyloxan-4-amine

2-tert-butyl-6-methyloxan-4-amine (PubChem CID 117046202) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 2-tert-butyl-6-methyloxan-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-methyloxan-4-amine
PubChem CID117046202
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name2-tert-butyl-6-methyloxan-4-amine
SMILESCC1CC(N)CC(C(C)(C)C)O1
InChIInChI=1S/C10H21NO/c1-7-5-8(11)6-9(12-7)10(2,3)4/h7-9H,5-6,11H2,1-4H3
InChIKeyWZEIHZYEVCJTGW-UHFFFAOYSA-N
XLogP1.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-methyloxan-4-amine?
The IUPAC name of 2-tert-butyl-6-methyloxan-4-amine (CID 117046202) is 2-tert-butyl-6-methyloxan-4-amine.
What is the SMILES notation for 2-tert-butyl-6-methyloxan-4-amine?
The canonical SMILES for 2-tert-butyl-6-methyloxan-4-amine is CC1CC(N)CC(C(C)(C)C)O1.
What is the InChIKey of 2-tert-butyl-6-methyloxan-4-amine?
The InChIKey is WZEIHZYEVCJTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-7-5-8(11)6-9(12-7)10(2,3)4/h7-9H,5-6,11H2,1-4H3.
What are the key properties of 2-tert-butyl-6-methyloxan-4-amine?
2-tert-butyl-6-methyloxan-4-amine has a molecular weight of 171.28 g/mol, XLogP of 1.93, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-methyloxan-4-amine is sourced from PubChem (CID 117046202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).