N-[3-(5-fluoro-3-pyridinyl)-2-methylpropyl]cyclopropanamine

C12H17FN2 — CID 64666695

IUPACN-[3-(5-fluoro-3-pyridinyl)-2-methylpropyl]cyclopropanamine
SMILESCC(CNC1CC1)Cc1cncc(F)c1
InChIInChI=1S/C12H17FN2/c1-9(6-15-12-2-3-12)4-10-5-11(13)8-14-7-10/h5,7-9,12,15H,2-4,6H2,1H3
InChIKeySCESAYDDAYYTEM-UHFFFAOYSA-N
MW208.28 g/mol
LogP2.15
Rot. Bonds5

About N-[3-(5-fluoro-3-pyridinyl)-2-methylpropyl]cyclopropanamine

N-[3-(5-fluoro-3-pyridinyl)-2-methylpropyl]cyclopropanamine (PubChem CID 64666695) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is N-[3-(5-fluoro-3-pyridinyl)-2-methylpropyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(5-fluoro-3-pyridinyl)-2-methylpropyl]cyclopropanamine
PubChem CID64666695
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC NameN-[3-(5-fluoro-3-pyridinyl)-2-methylpropyl]cyclopropanamine
SMILESCC(CNC1CC1)Cc1cncc(F)c1
InChIInChI=1S/C12H17FN2/c1-9(6-15-12-2-3-12)4-10-5-11(13)8-14-7-10/h5,7-9,12,15H,2-4,6H2,1H3
InChIKeySCESAYDDAYYTEM-UHFFFAOYSA-N
XLogP2.15
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(2-chloro-4-fluorophenyl)-2-methylpropyl]cyclopropanamine
CID 62528488
1-(5-fluoro-3-pyridinyl)propan-2-amine
CID 81020858
N-[2-methyl-3-(6-methyl-3-pyridinyl)propyl]cyclopropanamine
CID 64666694
N-[4-(3-fluorophenyl)-2,3-dimethylbutyl]cyclopropanamine
CID 81016597
N-ethyl-1-[(5-fluoro-3-pyridinyl)methyl]piperidin-4-amine
CID 114084046
N-[3-(5-bromo-2-fluorophenyl)-2-methylpropyl]cyclopropanamine
CID 62528286
N-[2-methyl-3-[4-(trifluoromethoxy)phenyl]propyl]cyclopropanamine
CID 55083756
3-[3-(cyclopropylamino)-2-methylpropyl]-5-methylpyridin-2-amine
CID 64664363
N-cyclopropyl-N',2-dimethyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine
CID 62433595
N-[(5-fluoro-3-pyridinyl)methyl]-3-methylcyclohexan-1-amine
CID 104953424
N-(2,3-dimethyl-4-pyridin-3-ylbutyl)cyclopropanamine
CID 104737358
N-[(5-fluoro-3-pyridinyl)methyl]-2,3-dimethylbutan-1-amine
CID 104953752

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-fluoro-3-pyridinyl)-2-methylpropyl]cyclopropanamine?
The IUPAC name of N-[3-(5-fluoro-3-pyridinyl)-2-methylpropyl]cyclopropanamine (CID 64666695) is N-[3-(5-fluoro-3-pyridinyl)-2-methylpropyl]cyclopropanamine.
What is the SMILES notation for N-[3-(5-fluoro-3-pyridinyl)-2-methylpropyl]cyclopropanamine?
The canonical SMILES for N-[3-(5-fluoro-3-pyridinyl)-2-methylpropyl]cyclopropanamine is CC(CNC1CC1)Cc1cncc(F)c1.
What is the InChIKey of N-[3-(5-fluoro-3-pyridinyl)-2-methylpropyl]cyclopropanamine?
The InChIKey is SCESAYDDAYYTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c1-9(6-15-12-2-3-12)4-10-5-11(13)8-14-7-10/h5,7-9,12,15H,2-4,6H2,1H3.
What are the key properties of N-[3-(5-fluoro-3-pyridinyl)-2-methylpropyl]cyclopropanamine?
N-[3-(5-fluoro-3-pyridinyl)-2-methylpropyl]cyclopropanamine has a molecular weight of 208.28 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-fluoro-3-pyridinyl)-2-methylpropyl]cyclopropanamine is sourced from PubChem (CID 64666695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).