N-[(5-ethoxy-3-pyridinyl)-(2-methylcyclopentyl)methyl]propan-1-amine

C17H28N2O — CID 107190527

IUPACN-[(5-ethoxy-3-pyridinyl)-(2-methylcyclopentyl)methyl]propan-1-amine
SMILESCCCNC(c1cncc(OCC)c1)C1CCCC1C
InChIInChI=1S/C17H28N2O/c1-4-9-19-17(16-8-6-7-13(16)3)14-10-15(20-5-2)12-18-11-14/h10-13,16-17,19H,4-9H2,1-3H3
InChIKeyQNLIHCWQFREUJT-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.96
Rot. Bonds7

About N-[(5-ethoxy-3-pyridinyl)-(2-methylcyclopentyl)methyl]propan-1-amine

N-[(5-ethoxy-3-pyridinyl)-(2-methylcyclopentyl)methyl]propan-1-amine (PubChem CID 107190527) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[(5-ethoxy-3-pyridinyl)-(2-methylcyclopentyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-ethoxy-3-pyridinyl)-(2-methylcyclopentyl)methyl]propan-1-amine
PubChem CID107190527
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[(5-ethoxy-3-pyridinyl)-(2-methylcyclopentyl)methyl]propan-1-amine
SMILESCCCNC(c1cncc(OCC)c1)C1CCCC1C
InChIInChI=1S/C17H28N2O/c1-4-9-19-17(16-8-6-7-13(16)3)14-10-15(20-5-2)12-18-11-14/h10-13,16-17,19H,4-9H2,1-3H3
InChIKeyQNLIHCWQFREUJT-UHFFFAOYSA-N
XLogP3.96
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methylcyclopentyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 107190433
N-[(3-cyclopropyloxyphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107191379
N-[(2-ethoxyphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107188648
1-(5-ethoxy-3-pyridinyl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine
CID 105026304
N-[(4-fluoro-3,5-dimethylphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107177899
6-bicyclo[3.1.0]hexanyl-(5-ethoxy-3-pyridinyl)methanamine
CID 105026358
N-[(2-methylcyclopentyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 107189268
N-[(2-methylcyclopentyl)-pyrimidin-5-ylmethyl]ethanamine
CID 107188092
[(5-ethoxy-3-pyridinyl)-(3-methyloxolan-2-yl)methyl]hydrazine
CID 105330016
2-cyclobutyl-1-(5-ethoxy-3-pyridinyl)ethanol
CID 103170200
N-[(2-methylcyclopentyl)-(2,4,5-trifluorophenyl)methyl]propan-1-amine
CID 107178295
N-[(3-chloro-4-methylphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107562085

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethoxy-3-pyridinyl)-(2-methylcyclopentyl)methyl]propan-1-amine?
The IUPAC name of N-[(5-ethoxy-3-pyridinyl)-(2-methylcyclopentyl)methyl]propan-1-amine (CID 107190527) is N-[(5-ethoxy-3-pyridinyl)-(2-methylcyclopentyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-ethoxy-3-pyridinyl)-(2-methylcyclopentyl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-ethoxy-3-pyridinyl)-(2-methylcyclopentyl)methyl]propan-1-amine is CCCNC(c1cncc(OCC)c1)C1CCCC1C.
What is the InChIKey of N-[(5-ethoxy-3-pyridinyl)-(2-methylcyclopentyl)methyl]propan-1-amine?
The InChIKey is QNLIHCWQFREUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-9-19-17(16-8-6-7-13(16)3)14-10-15(20-5-2)12-18-11-14/h10-13,16-17,19H,4-9H2,1-3H3.
What are the key properties of N-[(5-ethoxy-3-pyridinyl)-(2-methylcyclopentyl)methyl]propan-1-amine?
N-[(5-ethoxy-3-pyridinyl)-(2-methylcyclopentyl)methyl]propan-1-amine has a molecular weight of 276.42 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethoxy-3-pyridinyl)-(2-methylcyclopentyl)methyl]propan-1-amine is sourced from PubChem (CID 107190527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).