N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-pyrrolidin-1-ylethanamine

C12H22N2O — CID 62064370

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-pyrrolidin-1-ylethanamine
SMILESC1=COC(CNCCN2CCCC2)CC1
InChIInChI=1S/C12H22N2O/c1-4-10-15-12(5-1)11-13-6-9-14-7-2-3-8-14/h4,10,12-13H,1-3,5-9,11H2
InChIKeyLDCXZIPSDUKUDL-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.36
Rot. Bonds5

About N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-pyrrolidin-1-ylethanamine

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-pyrrolidin-1-ylethanamine (PubChem CID 62064370) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-pyrrolidin-1-ylethanamine
PubChem CID62064370
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-pyrrolidin-1-ylethanamine
SMILESC1=COC(CNCCN2CCCC2)CC1
InChIInChI=1S/C12H22N2O/c1-4-10-15-12(5-1)11-13-6-9-14-7-2-3-8-14/h4,10,12-13H,1-3,5-9,11H2
InChIKeyLDCXZIPSDUKUDL-UHFFFAOYSA-N
XLogP1.36
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-pyrrolidin-1-ylethanamine?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-pyrrolidin-1-ylethanamine (CID 62064370) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-pyrrolidin-1-ylethanamine is C1=COC(CNCCN2CCCC2)CC1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-pyrrolidin-1-ylethanamine?
The InChIKey is LDCXZIPSDUKUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-4-10-15-12(5-1)11-13-6-9-14-7-2-3-8-14/h4,10,12-13H,1-3,5-9,11H2.
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-pyrrolidin-1-ylethanamine?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-pyrrolidin-1-ylethanamine has a molecular weight of 210.32 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 62064370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).