2-methyl-N-(oxan-4-ylmethyl)propan-2-amine

C10H21NO — CID 59743283

IUPAC2-methyl-N-(oxan-4-ylmethyl)propan-2-amine
SMILESCC(C)(C)NCC1CCOCC1
InChIInChI=1S/C10H21NO/c1-10(2,3)11-8-9-4-6-12-7-5-9/h9,11H,4-8H2,1-3H3
InChIKeyATDFACRIJOKTJC-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.80
Rot. Bonds2

About 2-methyl-N-(oxan-4-ylmethyl)propan-2-amine

2-methyl-N-(oxan-4-ylmethyl)propan-2-amine (PubChem CID 59743283) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 2-methyl-N-(oxan-4-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-(oxan-4-ylmethyl)propan-2-amine
PubChem CID59743283
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name2-methyl-N-(oxan-4-ylmethyl)propan-2-amine
SMILESCC(C)(C)NCC1CCOCC1
InChIInChI=1S/C10H21NO/c1-10(2,3)11-8-9-4-6-12-7-5-9/h9,11H,4-8H2,1-3H3
InChIKeyATDFACRIJOKTJC-UHFFFAOYSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(Ethoxymethyl)piperidine
CID 17233802
Methyl(2-(oxan-4-yl)ethyl)amine
CID 20719713
Tetrahydro-N-methyl-2H-pyran-4-methanamine
CID 22225668
Methyl((oxan-4-yl)methyl)amine hydrochloride
CID 22737007
Methyl(1-(oxan-4-yl)ethyl)amine
CID 57526871
N-(oxan-4-ylmethyl)cyclopropanamine
CID 61269370
4-[(2-Methylpropoxy)methyl]piperidine
CID 24692196
4-(Ethoxymethyl)piperidine hydrochloride
CID 17233801
4-[(2-Methylpropoxy)methyl]piperidine hydrochloride
CID 43810754
N-[(oxan-4-yl)methyl]cyclobutanamine hydrochloride
CID 137919902
Tert-butyl[(oxan-4-yl)methyl]amine hydrochloride
CID 165942072
4-(Tert-butoxymethyl)piperidine
CID 54056421

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(oxan-4-ylmethyl)propan-2-amine?
The IUPAC name of 2-methyl-N-(oxan-4-ylmethyl)propan-2-amine (CID 59743283) is 2-methyl-N-(oxan-4-ylmethyl)propan-2-amine.
What is the SMILES notation for 2-methyl-N-(oxan-4-ylmethyl)propan-2-amine?
The canonical SMILES for 2-methyl-N-(oxan-4-ylmethyl)propan-2-amine is CC(C)(C)NCC1CCOCC1.
What is the InChIKey of 2-methyl-N-(oxan-4-ylmethyl)propan-2-amine?
The InChIKey is ATDFACRIJOKTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-10(2,3)11-8-9-4-6-12-7-5-9/h9,11H,4-8H2,1-3H3.
What are the key properties of 2-methyl-N-(oxan-4-ylmethyl)propan-2-amine?
2-methyl-N-(oxan-4-ylmethyl)propan-2-amine has a molecular weight of 171.28 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(oxan-4-ylmethyl)propan-2-amine is sourced from PubChem (CID 59743283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).