1-(2,2-dimethyl-3-propan-2-yloxypropyl)cyclopropan-1-amine

C11H23NO — CID 115016987

IUPAC1-(2,2-dimethyl-3-propan-2-yloxypropyl)cyclopropan-1-amine
SMILESCC(C)OCC(C)(C)CC1(N)CC1
InChIInChI=1S/C11H23NO/c1-9(2)13-8-10(3,4)7-11(12)5-6-11/h9H,5-8,12H2,1-4H3
InChIKeyMKWJKYSVHIWEBA-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.32
Rot. Bonds5

About 1-(2,2-dimethyl-3-propan-2-yloxypropyl)cyclopropan-1-amine

1-(2,2-dimethyl-3-propan-2-yloxypropyl)cyclopropan-1-amine (PubChem CID 115016987) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 1-(2,2-dimethyl-3-propan-2-yloxypropyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(2,2-dimethyl-3-propan-2-yloxypropyl)cyclopropan-1-amine
PubChem CID115016987
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name1-(2,2-dimethyl-3-propan-2-yloxypropyl)cyclopropan-1-amine
SMILESCC(C)OCC(C)(C)CC1(N)CC1
InChIInChI=1S/C11H23NO/c1-9(2)13-8-10(3,4)7-11(12)5-6-11/h9H,5-8,12H2,1-4H3
InChIKeyMKWJKYSVHIWEBA-UHFFFAOYSA-N
XLogP2.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-3-propan-2-yloxypropyl)cyclopropan-1-amine?
The IUPAC name of 1-(2,2-dimethyl-3-propan-2-yloxypropyl)cyclopropan-1-amine (CID 115016987) is 1-(2,2-dimethyl-3-propan-2-yloxypropyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(2,2-dimethyl-3-propan-2-yloxypropyl)cyclopropan-1-amine?
The canonical SMILES for 1-(2,2-dimethyl-3-propan-2-yloxypropyl)cyclopropan-1-amine is CC(C)OCC(C)(C)CC1(N)CC1.
What is the InChIKey of 1-(2,2-dimethyl-3-propan-2-yloxypropyl)cyclopropan-1-amine?
The InChIKey is MKWJKYSVHIWEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-9(2)13-8-10(3,4)7-11(12)5-6-11/h9H,5-8,12H2,1-4H3.
What are the key properties of 1-(2,2-dimethyl-3-propan-2-yloxypropyl)cyclopropan-1-amine?
1-(2,2-dimethyl-3-propan-2-yloxypropyl)cyclopropan-1-amine has a molecular weight of 185.31 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-3-propan-2-yloxypropyl)cyclopropan-1-amine is sourced from PubChem (CID 115016987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).