1-[3-methyl-1-(2-methylpropyl)azetidin-3-yl]cyclopropan-1-amine

C11H22N2 — CID 164835781

IUPAC1-[3-methyl-1-(2-methylpropyl)azetidin-3-yl]cyclopropan-1-amine
SMILESCC(C)CN1CC(C)(C2(N)CC2)C1
InChIInChI=1S/C11H22N2/c1-9(2)6-13-7-10(3,8-13)11(12)4-5-11/h9H,4-8,12H2,1-3H3
InChIKeyAMEBLKSGWYTOCZ-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.46
Rot. Bonds3

About 1-[3-methyl-1-(2-methylpropyl)azetidin-3-yl]cyclopropan-1-amine

1-[3-methyl-1-(2-methylpropyl)azetidin-3-yl]cyclopropan-1-amine (PubChem CID 164835781) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-[3-methyl-1-(2-methylpropyl)azetidin-3-yl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[3-methyl-1-(2-methylpropyl)azetidin-3-yl]cyclopropan-1-amine
PubChem CID164835781
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name1-[3-methyl-1-(2-methylpropyl)azetidin-3-yl]cyclopropan-1-amine
SMILESCC(C)CN1CC(C)(C2(N)CC2)C1
InChIInChI=1S/C11H22N2/c1-9(2)6-13-7-10(3,8-13)11(12)4-5-11/h9H,4-8,12H2,1-3H3
InChIKeyAMEBLKSGWYTOCZ-UHFFFAOYSA-N
XLogP1.46
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-1-(2-methylpropyl)azetidin-3-yl]cyclopropan-1-amine?
The IUPAC name of 1-[3-methyl-1-(2-methylpropyl)azetidin-3-yl]cyclopropan-1-amine (CID 164835781) is 1-[3-methyl-1-(2-methylpropyl)azetidin-3-yl]cyclopropan-1-amine.
What is the SMILES notation for 1-[3-methyl-1-(2-methylpropyl)azetidin-3-yl]cyclopropan-1-amine?
The canonical SMILES for 1-[3-methyl-1-(2-methylpropyl)azetidin-3-yl]cyclopropan-1-amine is CC(C)CN1CC(C)(C2(N)CC2)C1.
What is the InChIKey of 1-[3-methyl-1-(2-methylpropyl)azetidin-3-yl]cyclopropan-1-amine?
The InChIKey is AMEBLKSGWYTOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-9(2)6-13-7-10(3,8-13)11(12)4-5-11/h9H,4-8,12H2,1-3H3.
What are the key properties of 1-[3-methyl-1-(2-methylpropyl)azetidin-3-yl]cyclopropan-1-amine?
1-[3-methyl-1-(2-methylpropyl)azetidin-3-yl]cyclopropan-1-amine has a molecular weight of 182.31 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-1-(2-methylpropyl)azetidin-3-yl]cyclopropan-1-amine is sourced from PubChem (CID 164835781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).