2-methyl-N-(oxan-4-ylmethyl)butan-1-amine

C11H23NO — CID 62694542

IUPAC2-methyl-N-(oxan-4-ylmethyl)butan-1-amine
SMILESCCC(C)CNCC1CCOCC1
InChIInChI=1S/C11H23NO/c1-3-10(2)8-12-9-11-4-6-13-7-5-11/h10-12H,3-9H2,1-2H3
InChIKeyQJDROXDCHNHDSD-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.05
Rot. Bonds5

About 2-methyl-N-(oxan-4-ylmethyl)butan-1-amine

2-methyl-N-(oxan-4-ylmethyl)butan-1-amine (PubChem CID 62694542) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 2-methyl-N-(oxan-4-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(oxan-4-ylmethyl)butan-1-amine
PubChem CID62694542
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name2-methyl-N-(oxan-4-ylmethyl)butan-1-amine
SMILESCCC(C)CNCC1CCOCC1
InChIInChI=1S/C11H23NO/c1-3-10(2)8-12-9-11-4-6-13-7-5-11/h10-12H,3-9H2,1-2H3
InChIKeyQJDROXDCHNHDSD-UHFFFAOYSA-N
XLogP2.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-(oxolan-3-ylmethyl)butan-1-amine
CID 60919551
N-(cyclopentylmethyl)-2-methylbutan-1-amine
CID 43370775
(2S)-3-methyl-1-N-(oxan-4-ylmethyl)pentane-1,2-diamine
CID 68721418
2-ethyl-N'-(oxan-4-ylmethyl)propane-1,3-diamine
CID 115251525
2-methyl-N-(oxan-4-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 55136389
1-(oxan-4-ylmethylamino)pentan-2-ol
CID 115685627
2-methyl-N-[(2-propan-2-yloxolan-3-yl)methyl]butan-1-amine
CID 115887817
N-(2-methylbutyl)oxan-4-amine
CID 43609665
4-methyl-5-(oxolan-3-ylmethylamino)pentan-2-ol
CID 115887655
2-methyl-3-methylsulfanyl-N-(oxolan-3-ylmethyl)propan-1-amine
CID 63982996
3-methyl-N-(oxan-4-ylmethyl)butan-1-amine
CID 62385670
1-methoxy-3-(oxan-4-ylmethylamino)propan-2-ol
CID 63930500

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(oxan-4-ylmethyl)butan-1-amine?
The IUPAC name of 2-methyl-N-(oxan-4-ylmethyl)butan-1-amine (CID 62694542) is 2-methyl-N-(oxan-4-ylmethyl)butan-1-amine.
What is the SMILES notation for 2-methyl-N-(oxan-4-ylmethyl)butan-1-amine?
The canonical SMILES for 2-methyl-N-(oxan-4-ylmethyl)butan-1-amine is CCC(C)CNCC1CCOCC1.
What is the InChIKey of 2-methyl-N-(oxan-4-ylmethyl)butan-1-amine?
The InChIKey is QJDROXDCHNHDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-3-10(2)8-12-9-11-4-6-13-7-5-11/h10-12H,3-9H2,1-2H3.
What are the key properties of 2-methyl-N-(oxan-4-ylmethyl)butan-1-amine?
2-methyl-N-(oxan-4-ylmethyl)butan-1-amine has a molecular weight of 185.31 g/mol, XLogP of 2.05, 5 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)butan-1-amine is sourced from PubChem (CID 62694542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).