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

C11H23NO — CID 13029349

IUPAC5-methyl-1-(oxolan-2-yl)hexan-3-amine
SMILESCC(C)CC(N)CCC1CCCO1
InChIInChI=1S/C11H23NO/c1-9(2)8-10(12)5-6-11-4-3-7-13-11/h9-11H,3-8,12H2,1-2H3
InChIKeyIJZZHYVXJKPUBF-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.32
Rot. Bonds5

About 5-methyl-1-(oxolan-2-yl)hexan-3-amine

5-methyl-1-(oxolan-2-yl)hexan-3-amine (PubChem CID 13029349) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 5-methyl-1-(oxolan-2-yl)hexan-3-amine.

Molecular Properties

Compound Name5-methyl-1-(oxolan-2-yl)hexan-3-amine
PubChem CID13029349
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name5-methyl-1-(oxolan-2-yl)hexan-3-amine
SMILESCC(C)CC(N)CCC1CCCO1
InChIInChI=1S/C11H23NO/c1-9(2)8-10(12)5-6-11-4-3-7-13-11/h9-11H,3-8,12H2,1-2H3
InChIKeyIJZZHYVXJKPUBF-UHFFFAOYSA-N
XLogP2.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(oxolan-2-yl)hexan-3-amine?
The IUPAC name of 5-methyl-1-(oxolan-2-yl)hexan-3-amine (CID 13029349) is 5-methyl-1-(oxolan-2-yl)hexan-3-amine.
What is the SMILES notation for 5-methyl-1-(oxolan-2-yl)hexan-3-amine?
The canonical SMILES for 5-methyl-1-(oxolan-2-yl)hexan-3-amine is CC(C)CC(N)CCC1CCCO1.
What is the InChIKey of 5-methyl-1-(oxolan-2-yl)hexan-3-amine?
The InChIKey is IJZZHYVXJKPUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-9(2)8-10(12)5-6-11-4-3-7-13-11/h9-11H,3-8,12H2,1-2H3.
What are the key properties of 5-methyl-1-(oxolan-2-yl)hexan-3-amine?
5-methyl-1-(oxolan-2-yl)hexan-3-amine has a molecular weight of 185.31 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(oxolan-2-yl)hexan-3-amine is sourced from PubChem (CID 13029349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).