N-[(2,2-dimethylcyclohexyl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine

C17H27FN2 — CID 107187920

IUPACN-[(2,2-dimethylcyclohexyl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1cncc(F)c1)C1CCCCC1(C)C
InChIInChI=1S/C17H27FN2/c1-4-9-20-16(13-10-14(18)12-19-11-13)15-7-5-6-8-17(15,2)3/h10-12,15-16,20H,4-9H2,1-3H3
InChIKeyPPWOOCPHQFROKH-UHFFFAOYSA-N
MW278.41 g/mol
LogP4.48
Rot. Bonds5

About N-[(2,2-dimethylcyclohexyl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine

N-[(2,2-dimethylcyclohexyl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine (PubChem CID 107187920) has the molecular formula C17H27FN2 and a molecular weight of 278.41 g/mol. Its IUPAC name is N-[(2,2-dimethylcyclohexyl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,2-dimethylcyclohexyl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine
PubChem CID107187920
Molecular FormulaC17H27FN2
Molecular Weight278.41 g/mol
Exact Mass278.22
IUPAC NameN-[(2,2-dimethylcyclohexyl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1cncc(F)c1)C1CCCCC1(C)C
InChIInChI=1S/C17H27FN2/c1-4-9-20-16(13-10-14(18)12-19-11-13)15-7-5-6-8-17(15,2)3/h10-12,15-16,20H,4-9H2,1-3H3
InChIKeyPPWOOCPHQFROKH-UHFFFAOYSA-N
XLogP4.48
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.41
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2,2-dimethylcyclohexyl)-(5-fluoro-3-pyridinyl)methyl]hydrazine
CID 107193411
N-[(1,1-dioxothian-2-yl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine
CID 115805156
N-[(4-bromophenyl)-(2,2-dimethylcyclohexyl)methyl]propan-1-amine
CID 107177481
N-[2-cycloheptyl-1-(5-fluoro-3-pyridinyl)ethyl]propan-1-amine
CID 115804158
N-[(5-fluoro-3-pyridinyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine
CID 115805290
N-[(4,4-dimethylcyclohexyl)-(5-fluoro-3-pyridinyl)methyl]ethanamine
CID 65392232
N-[(2,2-dimethylcyclohexyl)-(4-fluoro-3,5-dimethylphenyl)methyl]ethanamine
CID 107177896
N-[bis(5-fluoro-3-pyridinyl)methyl]propan-1-amine
CID 105102198
N-[(2,2-dimethylcyclohexyl)-(2,5-dimethylthiophen-3-yl)methyl]propan-1-amine
CID 107177546
N-[(5-fluoro-3-pyridinyl)-[1-(2-methylpropyl)cyclopentyl]methyl]propan-1-amine
CID 115804175
N-[(4-bromo-2,5-difluorophenyl)-(2,2-dimethylcyclopentyl)methyl]propan-1-amine
CID 107177844
N-[(4-bromo-1-ethylpyrazol-5-yl)-(2,2-dimethylcyclohexyl)methyl]propan-1-amine
CID 107190949

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethylcyclohexyl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine?
The IUPAC name of N-[(2,2-dimethylcyclohexyl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine (CID 107187920) is N-[(2,2-dimethylcyclohexyl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,2-dimethylcyclohexyl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,2-dimethylcyclohexyl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine is CCCNC(c1cncc(F)c1)C1CCCCC1(C)C.
What is the InChIKey of N-[(2,2-dimethylcyclohexyl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine?
The InChIKey is PPWOOCPHQFROKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-4-9-20-16(13-10-14(18)12-19-11-13)15-7-5-6-8-17(15,2)3/h10-12,15-16,20H,4-9H2,1-3H3.
What are the key properties of N-[(2,2-dimethylcyclohexyl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine?
N-[(2,2-dimethylcyclohexyl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine has a molecular weight of 278.41 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethylcyclohexyl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 107187920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).