1-(3,3-dimethylazetidin-1-yl)-3-methylbutan-2-amine

C10H22N2 — CID 79677216

IUPAC1-(3,3-dimethylazetidin-1-yl)-3-methylbutan-2-amine
SMILESCC(C)C(N)CN1CC(C)(C)C1
InChIInChI=1S/C10H22N2/c1-8(2)9(11)5-12-6-10(3,4)7-12/h8-9H,5-7,11H2,1-4H3
InChIKeyOYMKOWOWVYHVFF-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.31
Rot. Bonds3

About 1-(3,3-dimethylazetidin-1-yl)-3-methylbutan-2-amine

1-(3,3-dimethylazetidin-1-yl)-3-methylbutan-2-amine (PubChem CID 79677216) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 1-(3,3-dimethylazetidin-1-yl)-3-methylbutan-2-amine.

Molecular Properties

Compound Name1-(3,3-dimethylazetidin-1-yl)-3-methylbutan-2-amine
PubChem CID79677216
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name1-(3,3-dimethylazetidin-1-yl)-3-methylbutan-2-amine
SMILESCC(C)C(N)CN1CC(C)(C)C1
InChIInChI=1S/C10H22N2/c1-8(2)9(11)5-12-6-10(3,4)7-12/h8-9H,5-7,11H2,1-4H3
InChIKeyOYMKOWOWVYHVFF-UHFFFAOYSA-N
XLogP1.31
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylazetidin-1-yl)-3-methylbutan-2-amine?
The IUPAC name of 1-(3,3-dimethylazetidin-1-yl)-3-methylbutan-2-amine (CID 79677216) is 1-(3,3-dimethylazetidin-1-yl)-3-methylbutan-2-amine.
What is the SMILES notation for 1-(3,3-dimethylazetidin-1-yl)-3-methylbutan-2-amine?
The canonical SMILES for 1-(3,3-dimethylazetidin-1-yl)-3-methylbutan-2-amine is CC(C)C(N)CN1CC(C)(C)C1.
What is the InChIKey of 1-(3,3-dimethylazetidin-1-yl)-3-methylbutan-2-amine?
The InChIKey is OYMKOWOWVYHVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-8(2)9(11)5-12-6-10(3,4)7-12/h8-9H,5-7,11H2,1-4H3.
What are the key properties of 1-(3,3-dimethylazetidin-1-yl)-3-methylbutan-2-amine?
1-(3,3-dimethylazetidin-1-yl)-3-methylbutan-2-amine has a molecular weight of 170.30 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylazetidin-1-yl)-3-methylbutan-2-amine is sourced from PubChem (CID 79677216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).