5-methoxy-5-methyl-1-(oxolan-2-yl)heptan-4-amine

C13H27NO2 — CID 116757408

IUPAC5-methoxy-5-methyl-1-(oxolan-2-yl)heptan-4-amine
SMILESCCC(C)(OC)C(N)CCCC1CCCO1
InChIInChI=1S/C13H27NO2/c1-4-13(2,15-3)12(14)9-5-7-11-8-6-10-16-11/h11-12H,4-10,14H2,1-3H3
InChIKeyJHDUHKLYFFKCLY-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.48
Rot. Bonds7

About 5-methoxy-5-methyl-1-(oxolan-2-yl)heptan-4-amine

5-methoxy-5-methyl-1-(oxolan-2-yl)heptan-4-amine (PubChem CID 116757408) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 5-methoxy-5-methyl-1-(oxolan-2-yl)heptan-4-amine.

Molecular Properties

Compound Name5-methoxy-5-methyl-1-(oxolan-2-yl)heptan-4-amine
PubChem CID116757408
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name5-methoxy-5-methyl-1-(oxolan-2-yl)heptan-4-amine
SMILESCCC(C)(OC)C(N)CCCC1CCCO1
InChIInChI=1S/C13H27NO2/c1-4-13(2,15-3)12(14)9-5-7-11-8-6-10-16-11/h11-12H,4-10,14H2,1-3H3
InChIKeyJHDUHKLYFFKCLY-UHFFFAOYSA-N
XLogP2.48
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-1-(oxolan-2-yl)-5-piperidin-1-ylheptan-4-amine
CID 79065672
5-ethoxy-5-methyl-1-(oxolan-2-yl)heptan-4-ol
CID 116752270
[6-methoxy-6-methyl-1-(oxolan-2-yl)heptan-4-yl]hydrazine
CID 103025357
2-methoxy-6-(oxolan-2-yl)hexan-3-amine
CID 79617762
1-methoxy-7-(oxolan-2-yl)heptan-4-amine
CID 65164869
[5-methyl-1-(oxolan-2-yl)heptan-4-yl]hydrazine
CID 105219692
2-(5-chloro-4-methylheptyl)oxolane
CID 65165898
3-methyl-6-(oxolan-2-yl)hexan-3-amine
CID 65166780
1,5-bis(oxolan-2-yl)pentan-3-amine
CID 104993652
[1,1-diethoxy-5-(oxolan-2-yl)pentan-2-yl]hydrazine
CID 105246420
5-(oxolan-2-yl)-1-propoxypentan-2-amine
CID 65164244
1,1-difluoro-5-(oxolan-2-yl)pentan-2-amine
CID 103516724

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-5-methyl-1-(oxolan-2-yl)heptan-4-amine?
The IUPAC name of 5-methoxy-5-methyl-1-(oxolan-2-yl)heptan-4-amine (CID 116757408) is 5-methoxy-5-methyl-1-(oxolan-2-yl)heptan-4-amine.
What is the SMILES notation for 5-methoxy-5-methyl-1-(oxolan-2-yl)heptan-4-amine?
The canonical SMILES for 5-methoxy-5-methyl-1-(oxolan-2-yl)heptan-4-amine is CCC(C)(OC)C(N)CCCC1CCCO1.
What is the InChIKey of 5-methoxy-5-methyl-1-(oxolan-2-yl)heptan-4-amine?
The InChIKey is JHDUHKLYFFKCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-4-13(2,15-3)12(14)9-5-7-11-8-6-10-16-11/h11-12H,4-10,14H2,1-3H3.
What are the key properties of 5-methoxy-5-methyl-1-(oxolan-2-yl)heptan-4-amine?
5-methoxy-5-methyl-1-(oxolan-2-yl)heptan-4-amine has a molecular weight of 229.36 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-5-methyl-1-(oxolan-2-yl)heptan-4-amine is sourced from PubChem (CID 116757408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).