N-[[2-(3-tert-butylpyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-2-amine

C17H28FN3 — CID 105390380

IUPACN-[[2-(3-tert-butylpyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccnc(N2CCC(C(C)(C)C)C2)c1F
InChIInChI=1S/C17H28FN3/c1-12(2)20-10-13-6-8-19-16(15(13)18)21-9-7-14(11-21)17(3,4)5/h6,8,12,14,20H,7,9-11H2,1-5H3
InChIKeyCPHHKJDPGKIFGK-UHFFFAOYSA-N
MW293.43 g/mol
LogP3.59
Rot. Bonds4

About N-[[2-(3-tert-butylpyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-2-amine

N-[[2-(3-tert-butylpyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-2-amine (PubChem CID 105390380) has the molecular formula C17H28FN3 and a molecular weight of 293.43 g/mol. Its IUPAC name is N-[[2-(3-tert-butylpyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(3-tert-butylpyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-2-amine
PubChem CID105390380
Molecular FormulaC17H28FN3
Molecular Weight293.43 g/mol
Exact Mass293.23
IUPAC NameN-[[2-(3-tert-butylpyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccnc(N2CCC(C(C)(C)C)C2)c1F
InChIInChI=1S/C17H28FN3/c1-12(2)20-10-13-6-8-19-16(15(13)18)21-9-7-14(11-21)17(3,4)5/h6,8,12,14,20H,7,9-11H2,1-5H3
InChIKeyCPHHKJDPGKIFGK-UHFFFAOYSA-N
XLogP3.59
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(3,5-dimethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-2-amine
CID 105388870
N-[[2-(4-ethylpiperazin-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-2-amine
CID 105388897
N-[[2-(3,4-dimethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 105387593
N-[[2-(3,3-dimethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-2-amine
CID 105389973
N-[[3-fluoro-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 105390492
N-[[3-fluoro-2-[3-(trifluoromethyl)piperidin-1-yl]-4-pyridinyl]methyl]ethanamine
CID 105390053
N-[[3-fluoro-2-(3-propan-2-ylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 105390385
N-[[2-(4-ethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 105385843
1-[3-fluoro-2-(4-methylpiperidin-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 105388731
N-[[2-(3-ethylpyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine
CID 105390394
1-[4-[(cyclopropylamino)methyl]-3-fluoro-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
CID 105389831
N-[[2-(2,3-dihydroindol-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-2-amine
CID 105388865

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-tert-butylpyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(3-tert-butylpyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-2-amine (CID 105390380) is N-[[2-(3-tert-butylpyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(3-tert-butylpyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(3-tert-butylpyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-2-amine is CC(C)NCc1ccnc(N2CCC(C(C)(C)C)C2)c1F.
What is the InChIKey of N-[[2-(3-tert-butylpyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-2-amine?
The InChIKey is CPHHKJDPGKIFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FN3/c1-12(2)20-10-13-6-8-19-16(15(13)18)21-9-7-14(11-21)17(3,4)5/h6,8,12,14,20H,7,9-11H2,1-5H3.
What are the key properties of N-[[2-(3-tert-butylpyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-2-amine?
N-[[2-(3-tert-butylpyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-2-amine has a molecular weight of 293.43 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-tert-butylpyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 105390380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).