N-methyl-1-(3-propyl-1-pyridin-3-ylcyclobutyl)methanamine

C14H22N2 — CID 80522419

IUPACN-methyl-1-(3-propyl-1-pyridin-3-ylcyclobutyl)methanamine
SMILESCCCC1CC(CNC)(c2cccnc2)C1
InChIInChI=1S/C14H22N2/c1-3-5-12-8-14(9-12,11-15-2)13-6-4-7-16-10-13/h4,6-7,10,12,15H,3,5,8-9,11H2,1-2H3
InChIKeyIUUOWXAAEDCOAY-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.75
Rot. Bonds5

About N-methyl-1-(3-propyl-1-pyridin-3-ylcyclobutyl)methanamine

N-methyl-1-(3-propyl-1-pyridin-3-ylcyclobutyl)methanamine (PubChem CID 80522419) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N-methyl-1-(3-propyl-1-pyridin-3-ylcyclobutyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(3-propyl-1-pyridin-3-ylcyclobutyl)methanamine
PubChem CID80522419
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN-methyl-1-(3-propyl-1-pyridin-3-ylcyclobutyl)methanamine
SMILESCCCC1CC(CNC)(c2cccnc2)C1
InChIInChI=1S/C14H22N2/c1-3-5-12-8-14(9-12,11-15-2)13-6-4-7-16-10-13/h4,6-7,10,12,15H,3,5,8-9,11H2,1-2H3
InChIKeyIUUOWXAAEDCOAY-UHFFFAOYSA-N
XLogP2.75
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-propyl-1-pyridin-3-ylcyclobutyl)methanamine?
The IUPAC name of N-methyl-1-(3-propyl-1-pyridin-3-ylcyclobutyl)methanamine (CID 80522419) is N-methyl-1-(3-propyl-1-pyridin-3-ylcyclobutyl)methanamine.
What is the SMILES notation for N-methyl-1-(3-propyl-1-pyridin-3-ylcyclobutyl)methanamine?
The canonical SMILES for N-methyl-1-(3-propyl-1-pyridin-3-ylcyclobutyl)methanamine is CCCC1CC(CNC)(c2cccnc2)C1.
What is the InChIKey of N-methyl-1-(3-propyl-1-pyridin-3-ylcyclobutyl)methanamine?
The InChIKey is IUUOWXAAEDCOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-3-5-12-8-14(9-12,11-15-2)13-6-4-7-16-10-13/h4,6-7,10,12,15H,3,5,8-9,11H2,1-2H3.
What are the key properties of N-methyl-1-(3-propyl-1-pyridin-3-ylcyclobutyl)methanamine?
N-methyl-1-(3-propyl-1-pyridin-3-ylcyclobutyl)methanamine has a molecular weight of 218.34 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-propyl-1-pyridin-3-ylcyclobutyl)methanamine is sourced from PubChem (CID 80522419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).