N-[[2-(5-fluoro-3-pyridinyl)-4-propylcyclohexyl]methyl]propan-2-amine

C18H29FN2 — CID 81034887

IUPACN-[[2-(5-fluoro-3-pyridinyl)-4-propylcyclohexyl]methyl]propan-2-amine
SMILESCCCC1CCC(CNC(C)C)C(c2cncc(F)c2)C1
InChIInChI=1S/C18H29FN2/c1-4-5-14-6-7-15(11-21-13(2)3)18(8-14)16-9-17(19)12-20-10-16/h9-10,12-15,18,21H,4-8,11H2,1-3H3
InChIKeyLUMLAVLUKYUPKL-UHFFFAOYSA-N
MW292.44 g/mol
LogP4.52
Rot. Bonds6

About N-[[2-(5-fluoro-3-pyridinyl)-4-propylcyclohexyl]methyl]propan-2-amine

N-[[2-(5-fluoro-3-pyridinyl)-4-propylcyclohexyl]methyl]propan-2-amine (PubChem CID 81034887) has the molecular formula C18H29FN2 and a molecular weight of 292.44 g/mol. Its IUPAC name is N-[[2-(5-fluoro-3-pyridinyl)-4-propylcyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(5-fluoro-3-pyridinyl)-4-propylcyclohexyl]methyl]propan-2-amine
PubChem CID81034887
Molecular FormulaC18H29FN2
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC NameN-[[2-(5-fluoro-3-pyridinyl)-4-propylcyclohexyl]methyl]propan-2-amine
SMILESCCCC1CCC(CNC(C)C)C(c2cncc(F)c2)C1
InChIInChI=1S/C18H29FN2/c1-4-5-14-6-7-15(11-21-13(2)3)18(8-14)16-9-17(19)12-20-10-16/h9-10,12-15,18,21H,4-8,11H2,1-3H3
InChIKeyLUMLAVLUKYUPKL-UHFFFAOYSA-N
XLogP4.52
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(5-fluoro-3-pyridinyl)cyclopentyl]methyl]propan-2-amine
CID 81034048
N-methyl-1-[2-(5-methyl-3-pyridinyl)-4-propylcyclohexyl]methanamine
CID 115375691
N-[[2-(furan-3-yl)-4-propylcyclohexyl]methyl]propan-2-amine
CID 81029613
1-[2-(3,5-difluorophenyl)-4-propylcyclohexyl]-N-methylmethanamine
CID 81029451
N-[[2-(4-bromo-1-methylpyrazol-5-yl)-4-propylcyclohexyl]methyl]propan-2-amine
CID 114667511
N-[[2-(3,5-difluorophenyl)cyclobutyl]methyl]propan-2-amine
CID 81018163
N-[[2-(3-fluoro-5-methylphenyl)-4-methylcyclohexyl]methyl]propan-2-amine
CID 81031516
N-[[2-(5-fluoro-3-pyridinyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81024271
1-[2-(3-fluoro-4-pyridinyl)-4-propylcyclohexyl]-N-methylmethanamine
CID 104739476
N-[[4-propyl-2-(pyridin-3-ylmethyl)cyclohexyl]methyl]propan-2-amine
CID 104737410
N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-propylcyclohexan-1-amine
CID 103778764
1-[2-(3,4-difluorophenyl)-4-propylcyclohexyl]-N-methylmethanamine
CID 81029742

Frequently Asked Questions

What is the IUPAC name of N-[[2-(5-fluoro-3-pyridinyl)-4-propylcyclohexyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(5-fluoro-3-pyridinyl)-4-propylcyclohexyl]methyl]propan-2-amine (CID 81034887) is N-[[2-(5-fluoro-3-pyridinyl)-4-propylcyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(5-fluoro-3-pyridinyl)-4-propylcyclohexyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(5-fluoro-3-pyridinyl)-4-propylcyclohexyl]methyl]propan-2-amine is CCCC1CCC(CNC(C)C)C(c2cncc(F)c2)C1.
What is the InChIKey of N-[[2-(5-fluoro-3-pyridinyl)-4-propylcyclohexyl]methyl]propan-2-amine?
The InChIKey is LUMLAVLUKYUPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2/c1-4-5-14-6-7-15(11-21-13(2)3)18(8-14)16-9-17(19)12-20-10-16/h9-10,12-15,18,21H,4-8,11H2,1-3H3.
What are the key properties of N-[[2-(5-fluoro-3-pyridinyl)-4-propylcyclohexyl]methyl]propan-2-amine?
N-[[2-(5-fluoro-3-pyridinyl)-4-propylcyclohexyl]methyl]propan-2-amine has a molecular weight of 292.44 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(5-fluoro-3-pyridinyl)-4-propylcyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 81034887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).