3-(3-methylbutyl)oxolan-3-amine

C9H19NO — CID 65020324

IUPAC3-(3-methylbutyl)oxolan-3-amine
SMILESCC(C)CCC1(N)CCOC1
InChIInChI=1S/C9H19NO/c1-8(2)3-4-9(10)5-6-11-7-9/h8H,3-7,10H2,1-2H3
InChIKeyCOKWTSAQSVCZLP-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.54
Rot. Bonds3

About 3-(3-methylbutyl)oxolan-3-amine

3-(3-methylbutyl)oxolan-3-amine (PubChem CID 65020324) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 3-(3-methylbutyl)oxolan-3-amine.

Molecular Properties

Compound Name3-(3-methylbutyl)oxolan-3-amine
PubChem CID65020324
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name3-(3-methylbutyl)oxolan-3-amine
SMILESCC(C)CCC1(N)CCOC1
InChIInChI=1S/C9H19NO/c1-8(2)3-4-9(10)5-6-11-7-9/h8H,3-7,10H2,1-2H3
InChIKeyCOKWTSAQSVCZLP-UHFFFAOYSA-N
XLogP1.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbutyl)oxolan-3-amine?
The IUPAC name of 3-(3-methylbutyl)oxolan-3-amine (CID 65020324) is 3-(3-methylbutyl)oxolan-3-amine.
What is the SMILES notation for 3-(3-methylbutyl)oxolan-3-amine?
The canonical SMILES for 3-(3-methylbutyl)oxolan-3-amine is CC(C)CCC1(N)CCOC1.
What is the InChIKey of 3-(3-methylbutyl)oxolan-3-amine?
The InChIKey is COKWTSAQSVCZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-8(2)3-4-9(10)5-6-11-7-9/h8H,3-7,10H2,1-2H3.
What are the key properties of 3-(3-methylbutyl)oxolan-3-amine?
3-(3-methylbutyl)oxolan-3-amine has a molecular weight of 157.26 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbutyl)oxolan-3-amine is sourced from PubChem (CID 65020324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).