3-methyl-N-(6-methylhept-5-en-2-yl)oxolan-3-amine

C13H25NO — CID 115922604

IUPAC3-methyl-N-(6-methylhept-5-en-2-yl)oxolan-3-amine
SMILESCC(C)=CCCC(C)NC1(C)CCOC1
InChIInChI=1S/C13H25NO/c1-11(2)6-5-7-12(3)14-13(4)8-9-15-10-13/h6,12,14H,5,7-10H2,1-4H3
InChIKeyVTTYFNVILNKAMN-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.89
Rot. Bonds5

About 3-methyl-N-(6-methylhept-5-en-2-yl)oxolan-3-amine

3-methyl-N-(6-methylhept-5-en-2-yl)oxolan-3-amine (PubChem CID 115922604) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 3-methyl-N-(6-methylhept-5-en-2-yl)oxolan-3-amine.

Molecular Properties

Compound Name3-methyl-N-(6-methylhept-5-en-2-yl)oxolan-3-amine
PubChem CID115922604
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name3-methyl-N-(6-methylhept-5-en-2-yl)oxolan-3-amine
SMILESCC(C)=CCCC(C)NC1(C)CCOC1
InChIInChI=1S/C13H25NO/c1-11(2)6-5-7-12(3)14-13(4)8-9-15-10-13/h6,12,14H,5,7-10H2,1-4H3
InChIKeyVTTYFNVILNKAMN-UHFFFAOYSA-N
XLogP2.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(6-methylhept-5-en-2-yl)oxolan-3-amine?
The IUPAC name of 3-methyl-N-(6-methylhept-5-en-2-yl)oxolan-3-amine (CID 115922604) is 3-methyl-N-(6-methylhept-5-en-2-yl)oxolan-3-amine.
What is the SMILES notation for 3-methyl-N-(6-methylhept-5-en-2-yl)oxolan-3-amine?
The canonical SMILES for 3-methyl-N-(6-methylhept-5-en-2-yl)oxolan-3-amine is CC(C)=CCCC(C)NC1(C)CCOC1.
What is the InChIKey of 3-methyl-N-(6-methylhept-5-en-2-yl)oxolan-3-amine?
The InChIKey is VTTYFNVILNKAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-11(2)6-5-7-12(3)14-13(4)8-9-15-10-13/h6,12,14H,5,7-10H2,1-4H3.
What are the key properties of 3-methyl-N-(6-methylhept-5-en-2-yl)oxolan-3-amine?
3-methyl-N-(6-methylhept-5-en-2-yl)oxolan-3-amine has a molecular weight of 211.35 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(6-methylhept-5-en-2-yl)oxolan-3-amine is sourced from PubChem (CID 115922604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).