N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine

C14H26N2O — CID 55030742

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine
SMILESCC(C)N1CCC(CNCC2CCC=CO2)C1
InChIInChI=1S/C14H26N2O/c1-12(2)16-7-6-13(11-16)9-15-10-14-5-3-4-8-17-14/h4,8,12-15H,3,5-7,9-11H2,1-2H3
InChIKeyNPFLSUMEJCTTDD-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.00
Rot. Bonds5

About N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine (PubChem CID 55030742) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine
PubChem CID55030742
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine
SMILESCC(C)N1CCC(CNCC2CCC=CO2)C1
InChIInChI=1S/C14H26N2O/c1-12(2)16-7-6-13(11-16)9-15-10-14-5-3-4-8-17-14/h4,8,12-15H,3,5-7,9-11H2,1-2H3
InChIKeyNPFLSUMEJCTTDD-UHFFFAOYSA-N
XLogP2.00
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine (CID 55030742) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine is CC(C)N1CCC(CNCC2CCC=CO2)C1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine?
The InChIKey is NPFLSUMEJCTTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-12(2)16-7-6-13(11-16)9-15-10-14-5-3-4-8-17-14/h4,8,12-15H,3,5-7,9-11H2,1-2H3.
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine has a molecular weight of 238.37 g/mol, XLogP of 2.00, 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)-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine is sourced from PubChem (CID 55030742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).