2-cyclopropyl-N-[(5-methyloxolan-2-yl)methyl]ethanamine

C11H21NO — CID 82836481

IUPAC2-cyclopropyl-N-[(5-methyloxolan-2-yl)methyl]ethanamine
SMILESCC1CCC(CNCCC2CC2)O1
InChIInChI=1S/C11H21NO/c1-9-2-5-11(13-9)8-12-7-6-10-3-4-10/h9-12H,2-8H2,1H3
InChIKeyLNEVYFXUJJNIRA-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.94
Rot. Bonds5

About 2-cyclopropyl-N-[(5-methyloxolan-2-yl)methyl]ethanamine

2-cyclopropyl-N-[(5-methyloxolan-2-yl)methyl]ethanamine (PubChem CID 82836481) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(5-methyloxolan-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-cyclopropyl-N-[(5-methyloxolan-2-yl)methyl]ethanamine
PubChem CID82836481
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-cyclopropyl-N-[(5-methyloxolan-2-yl)methyl]ethanamine
SMILESCC1CCC(CNCCC2CC2)O1
InChIInChI=1S/C11H21NO/c1-9-2-5-11(13-9)8-12-7-6-10-3-4-10/h9-12H,2-8H2,1H3
InChIKeyLNEVYFXUJJNIRA-UHFFFAOYSA-N
XLogP1.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N',N'-dimethyl-N-[(5-methyloxolan-2-yl)methyl]ethane-1,2-diamine
CID 82834863
N-[(5-methyloxolan-2-yl)methyl]octan-1-amine
CID 82835383
2-ethoxy-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 82833976
1-(3-chlorocyclopentyl)-N-[(5-methyloxolan-2-yl)methyl]methanamine
CID 106120936
N-[(5-methyloxolan-2-yl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine
CID 82836463
N-methyl-2-[(5-methyloxolan-2-yl)methylamino]ethanesulfonamide
CID 106333857
2-[(5-methyloxolan-2-yl)methylamino]ethyl carbamate
CID 83212137
N-[(5-methyloxolan-2-yl)methyl]-3-propan-2-yloxypropan-1-amine
CID 82834516
N-[(5-methyloxolan-2-yl)methyl]-1-(oxolan-3-yl)methanamine
CID 82835850
N'-methyl-N-[(5-methyloxolan-2-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine
CID 106040718
N-[(5-methyloxolan-2-yl)methyl]-4-propan-2-yloxybutan-1-amine
CID 106007697
N-[(5-methyloxolan-2-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 82836649

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(5-methyloxolan-2-yl)methyl]ethanamine?
The IUPAC name of 2-cyclopropyl-N-[(5-methyloxolan-2-yl)methyl]ethanamine (CID 82836481) is 2-cyclopropyl-N-[(5-methyloxolan-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-cyclopropyl-N-[(5-methyloxolan-2-yl)methyl]ethanamine?
The canonical SMILES for 2-cyclopropyl-N-[(5-methyloxolan-2-yl)methyl]ethanamine is CC1CCC(CNCCC2CC2)O1.
What is the InChIKey of 2-cyclopropyl-N-[(5-methyloxolan-2-yl)methyl]ethanamine?
The InChIKey is LNEVYFXUJJNIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-9-2-5-11(13-9)8-12-7-6-10-3-4-10/h9-12H,2-8H2,1H3.
What are the key properties of 2-cyclopropyl-N-[(5-methyloxolan-2-yl)methyl]ethanamine?
2-cyclopropyl-N-[(5-methyloxolan-2-yl)methyl]ethanamine has a molecular weight of 183.29 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(5-methyloxolan-2-yl)methyl]ethanamine is sourced from PubChem (CID 82836481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).