3-methyl-6-(oxolan-2-yl)hexan-1-amine

C11H23NO — CID 81013220

IUPAC3-methyl-6-(oxolan-2-yl)hexan-1-amine
SMILESCC(CCN)CCCC1CCCO1
InChIInChI=1S/C11H23NO/c1-10(7-8-12)4-2-5-11-6-3-9-13-11/h10-11H,2-9,12H2,1H3
InChIKeyYMLBJGNALADJDQ-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.32
Rot. Bonds6

About 3-methyl-6-(oxolan-2-yl)hexan-1-amine

3-methyl-6-(oxolan-2-yl)hexan-1-amine (PubChem CID 81013220) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 3-methyl-6-(oxolan-2-yl)hexan-1-amine.

Molecular Properties

Compound Name3-methyl-6-(oxolan-2-yl)hexan-1-amine
PubChem CID81013220
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name3-methyl-6-(oxolan-2-yl)hexan-1-amine
SMILESCC(CCN)CCCC1CCCO1
InChIInChI=1S/C11H23NO/c1-10(7-8-12)4-2-5-11-6-3-9-13-11/h10-11H,2-9,12H2,1H3
InChIKeyYMLBJGNALADJDQ-UHFFFAOYSA-N
XLogP2.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-7-(oxolan-2-yl)heptan-2-amine
CID 65164978
2-(5-chloro-4-methylpentyl)oxolane
CID 65165310
3-[3-(oxolan-2-yl)propylsulfanyl]butan-1-amine
CID 66228404
N-tert-butyl-3-methyl-6-(oxolan-2-yl)hexan-1-amine
CID 81020024
2-[4-[5-(oxolan-2-yl)pentan-2-ylsulfanyl]pentyl]oxolane
CID 54448834
2-(2-aminoethyl)-5-(oxolan-2-yl)pentanoic acid
CID 104681070
3-methyl-6-(oxolan-2-yl)hexan-2-ol
CID 65166050
5-(aminomethyl)-6-methyl-1-(oxolan-2-yl)heptan-4-ol
CID 107443069
2-(5-chloro-4-methylheptyl)oxolane
CID 65165898
2-methoxy-6-(oxolan-2-yl)hexan-3-amine
CID 79617762
(2R)-4-[(2R)-oxolan-2-yl]butan-2-amine
CID 7380763
1,1-difluoro-5-(oxolan-2-yl)pentan-2-amine
CID 103516724

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(oxolan-2-yl)hexan-1-amine?
The IUPAC name of 3-methyl-6-(oxolan-2-yl)hexan-1-amine (CID 81013220) is 3-methyl-6-(oxolan-2-yl)hexan-1-amine.
What is the SMILES notation for 3-methyl-6-(oxolan-2-yl)hexan-1-amine?
The canonical SMILES for 3-methyl-6-(oxolan-2-yl)hexan-1-amine is CC(CCN)CCCC1CCCO1.
What is the InChIKey of 3-methyl-6-(oxolan-2-yl)hexan-1-amine?
The InChIKey is YMLBJGNALADJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-10(7-8-12)4-2-5-11-6-3-9-13-11/h10-11H,2-9,12H2,1H3.
What are the key properties of 3-methyl-6-(oxolan-2-yl)hexan-1-amine?
3-methyl-6-(oxolan-2-yl)hexan-1-amine has a molecular weight of 185.31 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(oxolan-2-yl)hexan-1-amine is sourced from PubChem (CID 81013220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).