N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-(2-methylpiperidin-1-yl)propan-1-amine

C15H28N2O — CID 62066697

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-(2-methylpiperidin-1-yl)propan-1-amine
SMILESCC1CCCCN1CCCNCC1CCC=CO1
InChIInChI=1S/C15H28N2O/c1-14-7-2-4-10-17(14)11-6-9-16-13-15-8-3-5-12-18-15/h5,12,14-16H,2-4,6-11,13H2,1H3
InChIKeyJBPJHGIUSJISBB-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.53
Rot. Bonds6

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

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-(2-methylpiperidin-1-yl)propan-1-amine (PubChem CID 62066697) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-(2-methylpiperidin-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-(2-methylpiperidin-1-yl)propan-1-amine
PubChem CID62066697
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-(2-methylpiperidin-1-yl)propan-1-amine
SMILESCC1CCCCN1CCCNCC1CCC=CO1
InChIInChI=1S/C15H28N2O/c1-14-7-2-4-10-17(14)11-6-9-16-13-15-8-3-5-12-18-15/h5,12,14-16H,2-4,6-11,13H2,1H3
InChIKeyJBPJHGIUSJISBB-UHFFFAOYSA-N
XLogP2.53
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.53
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)-3-(2-methylpiperidin-1-yl)propan-1-amine?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-(2-methylpiperidin-1-yl)propan-1-amine (CID 62066697) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-(2-methylpiperidin-1-yl)propan-1-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-(2-methylpiperidin-1-yl)propan-1-amine?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-(2-methylpiperidin-1-yl)propan-1-amine is CC1CCCCN1CCCNCC1CCC=CO1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-(2-methylpiperidin-1-yl)propan-1-amine?
The InChIKey is JBPJHGIUSJISBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-14-7-2-4-10-17(14)11-6-9-16-13-15-8-3-5-12-18-15/h5,12,14-16H,2-4,6-11,13H2,1H3.
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-(2-methylpiperidin-1-yl)propan-1-amine?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-(2-methylpiperidin-1-yl)propan-1-amine has a molecular weight of 252.40 g/mol, XLogP of 2.53, 6 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)-3-(2-methylpiperidin-1-yl)propan-1-amine is sourced from PubChem (CID 62066697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).