N-[2-cyclopentyl-1-(2,6-dimethyl-3-pyridinyl)ethyl]propan-1-amine

C17H28N2 — CID 105138910

IUPACN-[2-cyclopentyl-1-(2,6-dimethyl-3-pyridinyl)ethyl]propan-1-amine
SMILESCCCNC(CC1CCCC1)c1ccc(C)nc1C
InChIInChI=1S/C17H28N2/c1-4-11-18-17(12-15-7-5-6-8-15)16-10-9-13(2)19-14(16)3/h9-10,15,17-18H,4-8,11-12H2,1-3H3
InChIKeyWGVVIZDOECTYOX-UHFFFAOYSA-N
MW260.43 g/mol
LogP4.32
Rot. Bonds6

About N-[2-cyclopentyl-1-(2,6-dimethyl-3-pyridinyl)ethyl]propan-1-amine

N-[2-cyclopentyl-1-(2,6-dimethyl-3-pyridinyl)ethyl]propan-1-amine (PubChem CID 105138910) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-[2-cyclopentyl-1-(2,6-dimethyl-3-pyridinyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-cyclopentyl-1-(2,6-dimethyl-3-pyridinyl)ethyl]propan-1-amine
PubChem CID105138910
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-[2-cyclopentyl-1-(2,6-dimethyl-3-pyridinyl)ethyl]propan-1-amine
SMILESCCCNC(CC1CCCC1)c1ccc(C)nc1C
InChIInChI=1S/C17H28N2/c1-4-11-18-17(12-15-7-5-6-8-15)16-10-9-13(2)19-14(16)3/h9-10,15,17-18H,4-8,11-12H2,1-3H3
InChIKeyWGVVIZDOECTYOX-UHFFFAOYSA-N
XLogP4.32
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-cyclopentyl-1-(2-methylphenyl)ethyl]propan-1-amine
CID 63413342
N-[2-cyclopentyl-1-(2,3,4-trifluorophenyl)ethyl]propan-1-amine
CID 115847145
N-[(2,6-dimethyl-3-pyridinyl)-(2-ethylcyclohexyl)methyl]propan-1-amine
CID 105151132
N-[2-cyclobutyl-1-(3-ethyl-6-methylpyridazin-4-yl)ethyl]propan-1-amine
CID 105151585
N-[2-cyclopentyl-1-(2-fluoro-3-methylphenyl)ethyl]propan-1-amine
CID 115847405
N-[2-cyclobutyl-1-(2,4,5-trimethylphenyl)ethyl]propan-1-amine
CID 103168829
N-[2-cyclohexyl-1-(2-fluorophenyl)ethyl]propan-1-amine
CID 55186438
N-[2-cyclobutyl-1-(2-methoxy-3,4-dimethylphenyl)ethyl]propan-1-amine
CID 103435492
2-cyclobutyl-1-(2,6-dimethyl-3-pyridinyl)ethanol
CID 105100889
1-(2,6-dimethyl-3-pyridinyl)-3-methyl-N-propylhexan-1-amine
CID 105137878
N-(2-cycloheptyl-1-phenylethyl)propan-1-amine
CID 114457602
N-[2-cyclohexyl-1-(3,4-dimethylphenyl)ethyl]propan-1-amine
CID 43493979

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclopentyl-1-(2,6-dimethyl-3-pyridinyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-cyclopentyl-1-(2,6-dimethyl-3-pyridinyl)ethyl]propan-1-amine (CID 105138910) is N-[2-cyclopentyl-1-(2,6-dimethyl-3-pyridinyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-cyclopentyl-1-(2,6-dimethyl-3-pyridinyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-cyclopentyl-1-(2,6-dimethyl-3-pyridinyl)ethyl]propan-1-amine is CCCNC(CC1CCCC1)c1ccc(C)nc1C.
What is the InChIKey of N-[2-cyclopentyl-1-(2,6-dimethyl-3-pyridinyl)ethyl]propan-1-amine?
The InChIKey is WGVVIZDOECTYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-11-18-17(12-15-7-5-6-8-15)16-10-9-13(2)19-14(16)3/h9-10,15,17-18H,4-8,11-12H2,1-3H3.
What are the key properties of N-[2-cyclopentyl-1-(2,6-dimethyl-3-pyridinyl)ethyl]propan-1-amine?
N-[2-cyclopentyl-1-(2,6-dimethyl-3-pyridinyl)ethyl]propan-1-amine has a molecular weight of 260.43 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclopentyl-1-(2,6-dimethyl-3-pyridinyl)ethyl]propan-1-amine is sourced from PubChem (CID 105138910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).