N-[[2-(oxolan-2-yl)cyclopropyl]methyl]cyclopropanamine

C11H19NO — CID 82837137

IUPACN-[[2-(oxolan-2-yl)cyclopropyl]methyl]cyclopropanamine
SMILESC1COC(C2CC2CNC2CC2)C1
InChIInChI=1S/C11H19NO/c1-2-11(13-5-1)10-6-8(10)7-12-9-3-4-9/h8-12H,1-7H2
InChIKeyOYTQRHCMNSXMNN-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.55
Rot. Bonds4

About N-[[2-(oxolan-2-yl)cyclopropyl]methyl]cyclopropanamine

N-[[2-(oxolan-2-yl)cyclopropyl]methyl]cyclopropanamine (PubChem CID 82837137) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N-[[2-(oxolan-2-yl)cyclopropyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(oxolan-2-yl)cyclopropyl]methyl]cyclopropanamine
PubChem CID82837137
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN-[[2-(oxolan-2-yl)cyclopropyl]methyl]cyclopropanamine
SMILESC1COC(C2CC2CNC2CC2)C1
InChIInChI=1S/C11H19NO/c1-2-11(13-5-1)10-6-8(10)7-12-9-3-4-9/h8-12H,1-7H2
InChIKeyOYTQRHCMNSXMNN-UHFFFAOYSA-N
XLogP1.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(oxolan-2-yl)cyclopropyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(oxolan-2-yl)cyclopropyl]methyl]cyclopropanamine (CID 82837137) is N-[[2-(oxolan-2-yl)cyclopropyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(oxolan-2-yl)cyclopropyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(oxolan-2-yl)cyclopropyl]methyl]cyclopropanamine is C1COC(C2CC2CNC2CC2)C1.
What is the InChIKey of N-[[2-(oxolan-2-yl)cyclopropyl]methyl]cyclopropanamine?
The InChIKey is OYTQRHCMNSXMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-2-11(13-5-1)10-6-8(10)7-12-9-3-4-9/h8-12H,1-7H2.
What are the key properties of N-[[2-(oxolan-2-yl)cyclopropyl]methyl]cyclopropanamine?
N-[[2-(oxolan-2-yl)cyclopropyl]methyl]cyclopropanamine has a molecular weight of 181.28 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(oxolan-2-yl)cyclopropyl]methyl]cyclopropanamine is sourced from PubChem (CID 82837137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).