N-[(5-fluoro-3-pyridinyl)-[1-(2-methylpropyl)cyclopentyl]methyl]propan-1-amine

C18H29FN2 — CID 115804175

IUPACN-[(5-fluoro-3-pyridinyl)-[1-(2-methylpropyl)cyclopentyl]methyl]propan-1-amine
SMILESCCCNC(c1cncc(F)c1)C1(CC(C)C)CCCC1
InChIInChI=1S/C18H29FN2/c1-4-9-21-17(15-10-16(19)13-20-12-15)18(11-14(2)3)7-5-6-8-18/h10,12-14,17,21H,4-9,11H2,1-3H3
InChIKeyQIGUSNYQFLQZOF-UHFFFAOYSA-N
MW292.44 g/mol
LogP4.87
Rot. Bonds7

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

N-[(5-fluoro-3-pyridinyl)-[1-(2-methylpropyl)cyclopentyl]methyl]propan-1-amine (PubChem CID 115804175) has the molecular formula C18H29FN2 and a molecular weight of 292.44 g/mol. Its IUPAC name is N-[(5-fluoro-3-pyridinyl)-[1-(2-methylpropyl)cyclopentyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-fluoro-3-pyridinyl)-[1-(2-methylpropyl)cyclopentyl]methyl]propan-1-amine
PubChem CID115804175
Molecular FormulaC18H29FN2
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC NameN-[(5-fluoro-3-pyridinyl)-[1-(2-methylpropyl)cyclopentyl]methyl]propan-1-amine
SMILESCCCNC(c1cncc(F)c1)C1(CC(C)C)CCCC1
InChIInChI=1S/C18H29FN2/c1-4-9-21-17(15-10-16(19)13-20-12-15)18(11-14(2)3)7-5-6-8-18/h10,12-14,17,21H,4-9,11H2,1-3H3
InChIKeyQIGUSNYQFLQZOF-UHFFFAOYSA-N
XLogP4.87
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-ethylcyclopentyl)-(5-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 105026181
N-[[1-(2-methylpropyl)cyclopentyl]-pyrazin-2-ylmethyl]propan-1-amine
CID 115860311
N-[bis(5-fluoro-3-pyridinyl)methyl]propan-1-amine
CID 105102198
N-[[1-(2-methylpropyl)cyclopentyl]-pyridin-3-ylmethyl]ethanamine
CID 115799011
N-[(2,2-dimethylcyclohexyl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine
CID 107187920
1-(5-fluoro-3-pyridinyl)-2-methyl-N-propylbutan-1-amine
CID 63717242
[(3,5-difluorophenyl)-[1-(2-methylpropyl)cyclopentyl]methyl]hydrazine
CID 105301856
N-methyl-1-[1-(2-methylpropyl)cyclopentyl]-1-pyrimidin-5-ylmethanamine
CID 115826923
1-(5-fluoro-3-pyridinyl)-4-methoxy-3-methyl-N-propylbutan-1-amine
CID 105102311
2-ethoxy-1-(5-fluoro-3-pyridinyl)-N-propylpropan-1-amine
CID 64534211
1-(1-ethoxycycloheptyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 116770894
[(1-ethoxycycloheptyl)-(5-fluoro-3-pyridinyl)methyl]hydrazine
CID 105278498

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-3-pyridinyl)-[1-(2-methylpropyl)cyclopentyl]methyl]propan-1-amine?
The IUPAC name of N-[(5-fluoro-3-pyridinyl)-[1-(2-methylpropyl)cyclopentyl]methyl]propan-1-amine (CID 115804175) is N-[(5-fluoro-3-pyridinyl)-[1-(2-methylpropyl)cyclopentyl]methyl]propan-1-amine.
What is the SMILES notation for N-[(5-fluoro-3-pyridinyl)-[1-(2-methylpropyl)cyclopentyl]methyl]propan-1-amine?
The canonical SMILES for N-[(5-fluoro-3-pyridinyl)-[1-(2-methylpropyl)cyclopentyl]methyl]propan-1-amine is CCCNC(c1cncc(F)c1)C1(CC(C)C)CCCC1.
What is the InChIKey of N-[(5-fluoro-3-pyridinyl)-[1-(2-methylpropyl)cyclopentyl]methyl]propan-1-amine?
The InChIKey is QIGUSNYQFLQZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2/c1-4-9-21-17(15-10-16(19)13-20-12-15)18(11-14(2)3)7-5-6-8-18/h10,12-14,17,21H,4-9,11H2,1-3H3.
What are the key properties of N-[(5-fluoro-3-pyridinyl)-[1-(2-methylpropyl)cyclopentyl]methyl]propan-1-amine?
N-[(5-fluoro-3-pyridinyl)-[1-(2-methylpropyl)cyclopentyl]methyl]propan-1-amine has a molecular weight of 292.44 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-3-pyridinyl)-[1-(2-methylpropyl)cyclopentyl]methyl]propan-1-amine is sourced from PubChem (CID 115804175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).