N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine

C13H21N3O — CID 62065650

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine
SMILESCc1[nH]ncc1CCCNCC1CCC=CO1
InChIInChI=1S/C13H21N3O/c1-11-12(9-15-16-11)5-4-7-14-10-13-6-2-3-8-17-13/h3,8-9,13-14H,2,4-7,10H2,1H3,(H,15,16)
InChIKeyUGMJYYZLFYGZNG-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.93
Rot. Bonds6

About N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine (PubChem CID 62065650) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine
PubChem CID62065650
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine
SMILESCc1[nH]ncc1CCCNCC1CCC=CO1
InChIInChI=1S/C13H21N3O/c1-11-12(9-15-16-11)5-4-7-14-10-13-6-2-3-8-17-13/h3,8-9,13-14H,2,4-7,10H2,1H3,(H,15,16)
InChIKeyUGMJYYZLFYGZNG-UHFFFAOYSA-N
XLogP1.93
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.93
H-Bond Donors ≤ 52
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-(5-methyl-1H-pyrazol-4-yl)propan-1-amine?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine (CID 62065650) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine is Cc1[nH]ncc1CCCNCC1CCC=CO1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine?
The InChIKey is UGMJYYZLFYGZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-11-12(9-15-16-11)5-4-7-14-10-13-6-2-3-8-17-13/h3,8-9,13-14H,2,4-7,10H2,1H3,(H,15,16).
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine has a molecular weight of 235.33 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 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-(5-methyl-1H-pyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 62065650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).