N-[(2,4,5-trimethyloxolan-3-yl)methyl]cyclopropanamine

C11H21NO — CID 65156408

IUPACN-[(2,4,5-trimethyloxolan-3-yl)methyl]cyclopropanamine
SMILESCC1OC(C)C(CNC2CC2)C1C
InChIInChI=1S/C11H21NO/c1-7-8(2)13-9(3)11(7)6-12-10-4-5-10/h7-12H,4-6H2,1-3H3
InChIKeyYBVANLHVTLWNOJ-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.80
Rot. Bonds3

About N-[(2,4,5-trimethyloxolan-3-yl)methyl]cyclopropanamine

N-[(2,4,5-trimethyloxolan-3-yl)methyl]cyclopropanamine (PubChem CID 65156408) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N-[(2,4,5-trimethyloxolan-3-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2,4,5-trimethyloxolan-3-yl)methyl]cyclopropanamine
PubChem CID65156408
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN-[(2,4,5-trimethyloxolan-3-yl)methyl]cyclopropanamine
SMILESCC1OC(C)C(CNC2CC2)C1C
InChIInChI=1S/C11H21NO/c1-7-8(2)13-9(3)11(7)6-12-10-4-5-10/h7-12H,4-6H2,1-3H3
InChIKeyYBVANLHVTLWNOJ-UHFFFAOYSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4,5-trimethyloxolan-3-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(2,4,5-trimethyloxolan-3-yl)methyl]cyclopropanamine (CID 65156408) is N-[(2,4,5-trimethyloxolan-3-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(2,4,5-trimethyloxolan-3-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(2,4,5-trimethyloxolan-3-yl)methyl]cyclopropanamine is CC1OC(C)C(CNC2CC2)C1C.
What is the InChIKey of N-[(2,4,5-trimethyloxolan-3-yl)methyl]cyclopropanamine?
The InChIKey is YBVANLHVTLWNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-7-8(2)13-9(3)11(7)6-12-10-4-5-10/h7-12H,4-6H2,1-3H3.
What are the key properties of N-[(2,4,5-trimethyloxolan-3-yl)methyl]cyclopropanamine?
N-[(2,4,5-trimethyloxolan-3-yl)methyl]cyclopropanamine has a molecular weight of 183.29 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4,5-trimethyloxolan-3-yl)methyl]cyclopropanamine is sourced from PubChem (CID 65156408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).