2-methyl-N-(oxan-2-ylmethyl)butan-2-amine

C11H23NO — CID 43421983

IUPAC2-methyl-N-(oxan-2-ylmethyl)butan-2-amine
SMILESCCC(C)(C)NCC1CCCCO1
InChIInChI=1S/C11H23NO/c1-4-11(2,3)12-9-10-7-5-6-8-13-10/h10,12H,4-9H2,1-3H3
InChIKeyPSQQRASTQHKGGE-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.33
Rot. Bonds4

About 2-methyl-N-(oxan-2-ylmethyl)butan-2-amine

2-methyl-N-(oxan-2-ylmethyl)butan-2-amine (PubChem CID 43421983) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 2-methyl-N-(oxan-2-ylmethyl)butan-2-amine.

Molecular Properties

Compound Name2-methyl-N-(oxan-2-ylmethyl)butan-2-amine
PubChem CID43421983
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name2-methyl-N-(oxan-2-ylmethyl)butan-2-amine
SMILESCCC(C)(C)NCC1CCCCO1
InChIInChI=1S/C11H23NO/c1-4-11(2,3)12-9-10-7-5-6-8-13-10/h10,12H,4-9H2,1-3H3
InChIKeyPSQQRASTQHKGGE-UHFFFAOYSA-N
XLogP2.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylbutan-2-yl)-2-(oxan-2-ylmethylamino)acetamide
CID 55014424
3-methyl-3-(oxolan-2-ylmethylamino)pentan-1-ol
CID 106172498
2-cyclopropyl-2-(oxan-2-ylmethylamino)propanoic acid
CID 114995613
2-ethyl-1-N-(oxan-2-ylmethyl)butane-1,2-diamine
CID 79814490
2-(2,2-dimethylbutyl)-oxacyclononadecane
CID 173129574
N-(oxan-2-ylmethyl)propan-1-amine
CID 13288217
N'-tert-butyl-N-(oxan-2-ylmethyl)propane-1,3-diamine
CID 60694368
N-(2-methylbutan-2-yl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide
CID 86825153
2,4-dimethyl-2-(oxan-2-ylmethylamino)pentanoic acid
CID 114998033
2-methyl-2-N-(oxolan-2-ylmethyl)pentane-1,2-diamine
CID 65378813
N-(cyclobutylmethyl)-2-methylbutan-2-amine
CID 65460080
(3R)-4-methoxy-3-methyl-3-[[(2R)-oxan-2-yl]methylamino]butan-1-ol
CID 97046341

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(oxan-2-ylmethyl)butan-2-amine?
The IUPAC name of 2-methyl-N-(oxan-2-ylmethyl)butan-2-amine (CID 43421983) is 2-methyl-N-(oxan-2-ylmethyl)butan-2-amine.
What is the SMILES notation for 2-methyl-N-(oxan-2-ylmethyl)butan-2-amine?
The canonical SMILES for 2-methyl-N-(oxan-2-ylmethyl)butan-2-amine is CCC(C)(C)NCC1CCCCO1.
What is the InChIKey of 2-methyl-N-(oxan-2-ylmethyl)butan-2-amine?
The InChIKey is PSQQRASTQHKGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-4-11(2,3)12-9-10-7-5-6-8-13-10/h10,12H,4-9H2,1-3H3.
What are the key properties of 2-methyl-N-(oxan-2-ylmethyl)butan-2-amine?
2-methyl-N-(oxan-2-ylmethyl)butan-2-amine has a molecular weight of 185.31 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(oxan-2-ylmethyl)butan-2-amine is sourced from PubChem (CID 43421983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).