3-methyl-2-(3-propan-2-ylazetidin-1-yl)butan-1-amine

C11H24N2 — CID 79677583

IUPAC3-methyl-2-(3-propan-2-ylazetidin-1-yl)butan-1-amine
SMILESCC(C)C1CN(C(CN)C(C)C)C1
InChIInChI=1S/C11H24N2/c1-8(2)10-6-13(7-10)11(5-12)9(3)4/h8-11H,5-7,12H2,1-4H3
InChIKeyLSVGFIXEISMDOJ-UHFFFAOYSA-N
MW184.33 g/mol
LogP1.56
Rot. Bonds4

About 3-methyl-2-(3-propan-2-ylazetidin-1-yl)butan-1-amine

3-methyl-2-(3-propan-2-ylazetidin-1-yl)butan-1-amine (PubChem CID 79677583) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is 3-methyl-2-(3-propan-2-ylazetidin-1-yl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-2-(3-propan-2-ylazetidin-1-yl)butan-1-amine
PubChem CID79677583
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name3-methyl-2-(3-propan-2-ylazetidin-1-yl)butan-1-amine
SMILESCC(C)C1CN(C(CN)C(C)C)C1
InChIInChI=1S/C11H24N2/c1-8(2)10-6-13(7-10)11(5-12)9(3)4/h8-11H,5-7,12H2,1-4H3
InChIKeyLSVGFIXEISMDOJ-UHFFFAOYSA-N
XLogP1.56
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.56
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-propan-2-ylazetidin-1-yl)butan-1-amine?
The IUPAC name of 3-methyl-2-(3-propan-2-ylazetidin-1-yl)butan-1-amine (CID 79677583) is 3-methyl-2-(3-propan-2-ylazetidin-1-yl)butan-1-amine.
What is the SMILES notation for 3-methyl-2-(3-propan-2-ylazetidin-1-yl)butan-1-amine?
The canonical SMILES for 3-methyl-2-(3-propan-2-ylazetidin-1-yl)butan-1-amine is CC(C)C1CN(C(CN)C(C)C)C1.
What is the InChIKey of 3-methyl-2-(3-propan-2-ylazetidin-1-yl)butan-1-amine?
The InChIKey is LSVGFIXEISMDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-8(2)10-6-13(7-10)11(5-12)9(3)4/h8-11H,5-7,12H2,1-4H3.
What are the key properties of 3-methyl-2-(3-propan-2-ylazetidin-1-yl)butan-1-amine?
3-methyl-2-(3-propan-2-ylazetidin-1-yl)butan-1-amine has a molecular weight of 184.33 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(3-propan-2-ylazetidin-1-yl)butan-1-amine is sourced from PubChem (CID 79677583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).