N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-propylcyclohexan-1-amine

C16H25FN2 — CID 103778764

IUPACN-[1-(5-fluoro-3-pyridinyl)ethyl]-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NC(C)c2cncc(F)c2)CC1
InChIInChI=1S/C16H25FN2/c1-3-4-13-5-7-16(8-6-13)19-12(2)14-9-15(17)11-18-10-14/h9-13,16,19H,3-8H2,1-2H3
InChIKeyDOLBKDLQNBTVGX-UHFFFAOYSA-N
MW264.39 g/mol
LogP4.23
Rot. Bonds5

About N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-propylcyclohexan-1-amine

N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-propylcyclohexan-1-amine (PubChem CID 103778764) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-propylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(5-fluoro-3-pyridinyl)ethyl]-4-propylcyclohexan-1-amine
PubChem CID103778764
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC NameN-[1-(5-fluoro-3-pyridinyl)ethyl]-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NC(C)c2cncc(F)c2)CC1
InChIInChI=1S/C16H25FN2/c1-3-4-13-5-7-16(8-6-13)19-12(2)14-9-15(17)11-18-10-14/h9-13,16,19H,3-8H2,1-2H3
InChIKeyDOLBKDLQNBTVGX-UHFFFAOYSA-N
XLogP4.23
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-propylcyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-propyl-N-[(1S)-1-pyridin-3-ylethyl]cyclohexan-1-amine
CID 28655963
N-[1-(5-fluoro-3-pyridinyl)ethyl]-1-oxothian-4-amine
CID 114080574
N-[1-(5-fluoro-3-pyridinyl)ethyl]-3,3-dimethylcyclopentan-1-amine
CID 103907148
N-[1-(5-fluoro-3-pyridinyl)ethyl]-2,2,6,6-tetramethylpiperidin-4-amine
CID 103776178
4-propyl-N-(1-pyridin-3-ylethyl)cycloheptan-1-amine
CID 65087116
3-cyclopropyl-1-(5-fluoro-3-pyridinyl)-N-methylpropan-1-amine
CID 105157890
2-[4-[1-(5-fluoro-3-pyridinyl)ethylamino]piperidin-1-yl]acetamide
CID 103776848
tert-butyl 3-[1-(5-fluoro-3-pyridinyl)ethylamino]azetidine-1-carboxylate
CID 103788166
N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylcyclohexan-1-amine
CID 103775342
N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-propan-2-ylcyclohexan-1-amine
CID 103781018
4-propyl-N-(1-pyridin-4-ylethyl)cycloheptan-1-amine
CID 65087218
N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylpentan-2-amine
CID 115920023

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-propylcyclohexan-1-amine?
The IUPAC name of N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-propylcyclohexan-1-amine (CID 103778764) is N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-propylcyclohexan-1-amine.
What is the SMILES notation for N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-propylcyclohexan-1-amine?
The canonical SMILES for N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-propylcyclohexan-1-amine is CCCC1CCC(NC(C)c2cncc(F)c2)CC1.
What is the InChIKey of N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-propylcyclohexan-1-amine?
The InChIKey is DOLBKDLQNBTVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-3-4-13-5-7-16(8-6-13)19-12(2)14-9-15(17)11-18-10-14/h9-13,16,19H,3-8H2,1-2H3.
What are the key properties of N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-propylcyclohexan-1-amine?
N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-propylcyclohexan-1-amine has a molecular weight of 264.39 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-propylcyclohexan-1-amine is sourced from PubChem (CID 103778764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).