3-methyl-2-(3-methylbutoxy)butan-1-amine

C10H23NO — CID 62444983

IUPAC3-methyl-2-(3-methylbutoxy)butan-1-amine
SMILESCC(C)CCOC(CN)C(C)C
InChIInChI=1S/C10H23NO/c1-8(2)5-6-12-10(7-11)9(3)4/h8-10H,5-7,11H2,1-4H3
InChIKeyGBGLGIBOEDILQT-UHFFFAOYSA-N
MW173.30 g/mol
LogP2.03
Rot. Bonds6

About 3-methyl-2-(3-methylbutoxy)butan-1-amine

3-methyl-2-(3-methylbutoxy)butan-1-amine (PubChem CID 62444983) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 3-methyl-2-(3-methylbutoxy)butan-1-amine.

Molecular Properties

Compound Name3-methyl-2-(3-methylbutoxy)butan-1-amine
PubChem CID62444983
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name3-methyl-2-(3-methylbutoxy)butan-1-amine
SMILESCC(C)CCOC(CN)C(C)C
InChIInChI=1S/C10H23NO/c1-8(2)5-6-12-10(7-11)9(3)4/h8-10H,5-7,11H2,1-4H3
InChIKeyGBGLGIBOEDILQT-UHFFFAOYSA-N
XLogP2.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(3-methylbutoxy)butan-1-amine?
The IUPAC name of 3-methyl-2-(3-methylbutoxy)butan-1-amine (CID 62444983) is 3-methyl-2-(3-methylbutoxy)butan-1-amine.
What is the SMILES notation for 3-methyl-2-(3-methylbutoxy)butan-1-amine?
The canonical SMILES for 3-methyl-2-(3-methylbutoxy)butan-1-amine is CC(C)CCOC(CN)C(C)C.
What is the InChIKey of 3-methyl-2-(3-methylbutoxy)butan-1-amine?
The InChIKey is GBGLGIBOEDILQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-8(2)5-6-12-10(7-11)9(3)4/h8-10H,5-7,11H2,1-4H3.
What are the key properties of 3-methyl-2-(3-methylbutoxy)butan-1-amine?
3-methyl-2-(3-methylbutoxy)butan-1-amine has a molecular weight of 173.30 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(3-methylbutoxy)butan-1-amine is sourced from PubChem (CID 62444983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).