4-methyl-1-(oxolan-2-yl)heptan-3-amine

C12H25NO — CID 104993629

IUPAC4-methyl-1-(oxolan-2-yl)heptan-3-amine
SMILESCCCC(C)C(N)CCC1CCCO1
InChIInChI=1S/C12H25NO/c1-3-5-10(2)12(13)8-7-11-6-4-9-14-11/h10-12H,3-9,13H2,1-2H3
InChIKeyVQOXUTQMJFSFOA-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.71
Rot. Bonds6

About 4-methyl-1-(oxolan-2-yl)heptan-3-amine

4-methyl-1-(oxolan-2-yl)heptan-3-amine (PubChem CID 104993629) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 4-methyl-1-(oxolan-2-yl)heptan-3-amine.

Molecular Properties

Compound Name4-methyl-1-(oxolan-2-yl)heptan-3-amine
PubChem CID104993629
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name4-methyl-1-(oxolan-2-yl)heptan-3-amine
SMILESCCCC(C)C(N)CCC1CCCO1
InChIInChI=1S/C12H25NO/c1-3-5-10(2)12(13)8-7-11-6-4-9-14-11/h10-12H,3-9,13H2,1-2H3
InChIKeyVQOXUTQMJFSFOA-UHFFFAOYSA-N
XLogP2.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-methyl-1-(oxolan-2-yl)heptan-3-yl]hydrazine
CID 105314328
(2R)-4-[(2R)-oxolan-2-yl]butan-2-amine
CID 7380763
6-methoxy-4-methyl-1-(oxan-2-yl)hexan-3-amine
CID 105044424
1,5-bis(oxolan-2-yl)pentan-3-amine
CID 104993652
1-(oxolan-2-yl)pentan-3-amine
CID 62549637
1,1-difluoro-4-(oxolan-2-yl)butan-2-amine
CID 103516728
1-(oxolan-2-yl)heptane-3,4-diol
CID 103454796
2-ethyl-4-(oxolan-2-yl)butan-1-amine
CID 65165961
4-methyl-3-[2-(oxolan-2-yl)ethyl]pentan-2-amine
CID 65161981
1-(oxan-2-yl)nonan-3-amine
CID 115833397
4-methyl-1-(oxolan-2-yl)hexan-3-ol
CID 65162291
6-methyl-1-(oxan-2-yl)heptan-3-amine
CID 115834272

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(oxolan-2-yl)heptan-3-amine?
The IUPAC name of 4-methyl-1-(oxolan-2-yl)heptan-3-amine (CID 104993629) is 4-methyl-1-(oxolan-2-yl)heptan-3-amine.
What is the SMILES notation for 4-methyl-1-(oxolan-2-yl)heptan-3-amine?
The canonical SMILES for 4-methyl-1-(oxolan-2-yl)heptan-3-amine is CCCC(C)C(N)CCC1CCCO1.
What is the InChIKey of 4-methyl-1-(oxolan-2-yl)heptan-3-amine?
The InChIKey is VQOXUTQMJFSFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-3-5-10(2)12(13)8-7-11-6-4-9-14-11/h10-12H,3-9,13H2,1-2H3.
What are the key properties of 4-methyl-1-(oxolan-2-yl)heptan-3-amine?
4-methyl-1-(oxolan-2-yl)heptan-3-amine has a molecular weight of 199.34 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(oxolan-2-yl)heptan-3-amine is sourced from PubChem (CID 104993629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).