N-[1-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethyl]propan-1-amine

C17H26N2 — CID 106314747

IUPACN-[1-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccccc1N1CCC=C(C)C1
InChIInChI=1S/C17H26N2/c1-4-11-18-15(3)16-9-5-6-10-17(16)19-12-7-8-14(2)13-19/h5-6,8-10,15,18H,4,7,11-13H2,1-3H3
InChIKeyJXERSODRRRCYBL-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.90
Rot. Bonds5

About N-[1-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethyl]propan-1-amine

N-[1-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethyl]propan-1-amine (PubChem CID 106314747) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N-[1-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethyl]propan-1-amine
PubChem CID106314747
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC NameN-[1-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccccc1N1CCC=C(C)C1
InChIInChI=1S/C17H26N2/c1-4-11-18-15(3)16-9-5-6-10-17(16)19-12-7-8-14(2)13-19/h5-6,8-10,15,18H,4,7,11-13H2,1-3H3
InChIKeyJXERSODRRRCYBL-UHFFFAOYSA-N
XLogP3.90
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[2-(azepan-1-yl)phenyl]ethyl]propan-1-amine
CID 43284031
N-[1-(2-piperidin-1-ylphenyl)ethyl]propan-1-amine
CID 43284321
5-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-[1-(propylamino)ethyl]phenol
CID 106314690
N-[1-[2-(2-ethylmorpholin-4-yl)phenyl]ethyl]propan-1-amine
CID 43562783
N-[1-[2-(2,5-dimethylpyrrol-1-yl)phenyl]ethyl]propan-1-amine
CID 63409223
N-[1-[2-(3,3-dimethoxyazetidin-1-yl)phenyl]ethyl]propan-1-amine
CID 79678785
N-[1-[2-(4-ethoxypiperidin-1-yl)phenyl]ethyl]propan-1-amine
CID 61219586
[1-[2-[1-(propylamino)ethyl]phenyl]pyrrolidin-3-yl]methanol
CID 112626005
1-[4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]-N-propylpropan-1-amine
CID 106314771
N-[1-[2-(3-propan-2-ylpyrazol-1-yl)phenyl]ethyl]propan-1-amine
CID 62489000
3-[2-[1-(propylamino)ethyl]phenyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 60792685
N-[1-(2-imidazol-1-ylphenyl)ethyl]propan-1-amine
CID 43284758

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethyl]propan-1-amine (CID 106314747) is N-[1-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethyl]propan-1-amine is CCCNC(C)c1ccccc1N1CCC=C(C)C1.
What is the InChIKey of N-[1-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethyl]propan-1-amine?
The InChIKey is JXERSODRRRCYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-4-11-18-15(3)16-9-5-6-10-17(16)19-12-7-8-14(2)13-19/h5-6,8-10,15,18H,4,7,11-13H2,1-3H3.
What are the key properties of N-[1-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethyl]propan-1-amine?
N-[1-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethyl]propan-1-amine has a molecular weight of 258.41 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 106314747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).