6-(5,5-dimethyloxolan-2-yl)-2,2-dimethylhexan-3-amine

C14H29NO — CID 116524272

IUPAC6-(5,5-dimethyloxolan-2-yl)-2,2-dimethylhexan-3-amine
SMILESCC1(C)CCC(CCCC(N)C(C)(C)C)O1
InChIInChI=1S/C14H29NO/c1-13(2,3)12(15)8-6-7-11-9-10-14(4,5)16-11/h11-12H,6-10,15H2,1-5H3
InChIKeyWLDPMOHBWDUWGU-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.49
Rot. Bonds4

About 6-(5,5-dimethyloxolan-2-yl)-2,2-dimethylhexan-3-amine

6-(5,5-dimethyloxolan-2-yl)-2,2-dimethylhexan-3-amine (PubChem CID 116524272) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 6-(5,5-dimethyloxolan-2-yl)-2,2-dimethylhexan-3-amine.

Molecular Properties

Compound Name6-(5,5-dimethyloxolan-2-yl)-2,2-dimethylhexan-3-amine
PubChem CID116524272
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name6-(5,5-dimethyloxolan-2-yl)-2,2-dimethylhexan-3-amine
SMILESCC1(C)CCC(CCCC(N)C(C)(C)C)O1
InChIInChI=1S/C14H29NO/c1-13(2,3)12(15)8-6-7-11-9-10-14(4,5)16-11/h11-12H,6-10,15H2,1-5H3
InChIKeyWLDPMOHBWDUWGU-UHFFFAOYSA-N
XLogP3.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-bromopentyl)-2,2-dimethyloxolane
CID 116524361
5-(4-chlorohexyl)-2,2-dimethyloxolane
CID 116524355
3-(5,5-dimethyloxolan-2-yl)propan-1-ol
CID 116523847
5-(3-bromo-4-methylpentyl)-2,2-dimethyloxolane
CID 116523355
4-(5,5-dimethyloxolan-2-yl)butan-1-ol
CID 116524331
4-(5,5-dimethyloxolan-2-yl)-N-propan-2-ylbutan-1-amine
CID 116524277
4-(5,5-dimethyloxolan-2-yl)-N-methylbutan-2-amine
CID 116522565
N-[3-(5,5-dimethyloxolan-2-yl)propyl]-2-methylpropan-1-amine
CID 116523545
1-(5,5-dimethyloxolan-2-yl)butan-2-amine
CID 116524943
5-(3-bromohexyl)-2,2-dimethyloxolane
CID 116523352
1-(5,5-dimethyloxolan-2-yl)-4-methyl-N-propylpentan-3-amine
CID 116522578
4-(5,5-dimethyloxolan-2-yl)-1-methoxybutan-2-ol
CID 116523324

Frequently Asked Questions

What is the IUPAC name of 6-(5,5-dimethyloxolan-2-yl)-2,2-dimethylhexan-3-amine?
The IUPAC name of 6-(5,5-dimethyloxolan-2-yl)-2,2-dimethylhexan-3-amine (CID 116524272) is 6-(5,5-dimethyloxolan-2-yl)-2,2-dimethylhexan-3-amine.
What is the SMILES notation for 6-(5,5-dimethyloxolan-2-yl)-2,2-dimethylhexan-3-amine?
The canonical SMILES for 6-(5,5-dimethyloxolan-2-yl)-2,2-dimethylhexan-3-amine is CC1(C)CCC(CCCC(N)C(C)(C)C)O1.
What is the InChIKey of 6-(5,5-dimethyloxolan-2-yl)-2,2-dimethylhexan-3-amine?
The InChIKey is WLDPMOHBWDUWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-13(2,3)12(15)8-6-7-11-9-10-14(4,5)16-11/h11-12H,6-10,15H2,1-5H3.
What are the key properties of 6-(5,5-dimethyloxolan-2-yl)-2,2-dimethylhexan-3-amine?
6-(5,5-dimethyloxolan-2-yl)-2,2-dimethylhexan-3-amine has a molecular weight of 227.39 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5,5-dimethyloxolan-2-yl)-2,2-dimethylhexan-3-amine is sourced from PubChem (CID 116524272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).