5-(aminomethyl)-6-methyl-1-(oxolan-2-yl)heptan-4-ol

C13H27NO2 — CID 107443069

IUPAC5-(aminomethyl)-6-methyl-1-(oxolan-2-yl)heptan-4-ol
SMILESCC(C)C(CN)C(O)CCCC1CCCO1
InChIInChI=1S/C13H27NO2/c1-10(2)12(9-14)13(15)7-3-5-11-6-4-8-16-11/h10-13,15H,3-9,14H2,1-2H3
InChIKeySVLLIJDAODBNSO-UHFFFAOYSA-N
MW229.36 g/mol
LogP1.93
Rot. Bonds7

About 5-(aminomethyl)-6-methyl-1-(oxolan-2-yl)heptan-4-ol

5-(aminomethyl)-6-methyl-1-(oxolan-2-yl)heptan-4-ol (PubChem CID 107443069) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 5-(aminomethyl)-6-methyl-1-(oxolan-2-yl)heptan-4-ol.

Molecular Properties

Compound Name5-(aminomethyl)-6-methyl-1-(oxolan-2-yl)heptan-4-ol
PubChem CID107443069
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name5-(aminomethyl)-6-methyl-1-(oxolan-2-yl)heptan-4-ol
SMILESCC(C)C(CN)C(O)CCCC1CCCO1
InChIInChI=1S/C13H27NO2/c1-10(2)12(9-14)13(15)7-3-5-11-6-4-8-16-11/h10-13,15H,3-9,14H2,1-2H3
InChIKeySVLLIJDAODBNSO-UHFFFAOYSA-N
XLogP1.93
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(oxolan-2-yl)octane-4,5-diol
CID 103454832
3-methyl-6-(oxolan-2-yl)hexan-2-ol
CID 65166050
3-methyl-6-(oxolan-2-yl)hexan-1-amine
CID 81013220
4-methyl-3-[2-(oxolan-2-yl)ethyl]pentan-2-amine
CID 65161981
2-(5-chloro-4-methylpentyl)oxolane
CID 65165310
6-(oxolan-2-yl)-2-phenylhexan-3-ol
CID 65162298
1,1-difluoro-5-(oxolan-2-yl)pentan-2-amine
CID 103516724
2-[4-[5-(oxolan-2-yl)pentan-2-ylsulfanyl]pentyl]oxolane
CID 54448834
2-[3-(chloromethyl)-4-methylpentyl]oxolane
CID 66033878
4-methyl-7-(oxolan-2-yl)heptan-2-amine
CID 65164978
5-(oxolan-2-yl)-1-propan-2-ylsulfanylpentan-2-ol
CID 65167230
6-(oxolan-2-yl)-3-propan-2-yl-N-propylhexan-2-amine
CID 65162085

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-6-methyl-1-(oxolan-2-yl)heptan-4-ol?
The IUPAC name of 5-(aminomethyl)-6-methyl-1-(oxolan-2-yl)heptan-4-ol (CID 107443069) is 5-(aminomethyl)-6-methyl-1-(oxolan-2-yl)heptan-4-ol.
What is the SMILES notation for 5-(aminomethyl)-6-methyl-1-(oxolan-2-yl)heptan-4-ol?
The canonical SMILES for 5-(aminomethyl)-6-methyl-1-(oxolan-2-yl)heptan-4-ol is CC(C)C(CN)C(O)CCCC1CCCO1.
What is the InChIKey of 5-(aminomethyl)-6-methyl-1-(oxolan-2-yl)heptan-4-ol?
The InChIKey is SVLLIJDAODBNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-10(2)12(9-14)13(15)7-3-5-11-6-4-8-16-11/h10-13,15H,3-9,14H2,1-2H3.
What are the key properties of 5-(aminomethyl)-6-methyl-1-(oxolan-2-yl)heptan-4-ol?
5-(aminomethyl)-6-methyl-1-(oxolan-2-yl)heptan-4-ol has a molecular weight of 229.36 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-6-methyl-1-(oxolan-2-yl)heptan-4-ol is sourced from PubChem (CID 107443069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).