N-butan-2-yl-4-[(cyclopropylamino)methyl]-3-fluoro-N-methylpyridin-2-amine

C14H22FN3 — CID 105388956

IUPACN-butan-2-yl-4-[(cyclopropylamino)methyl]-3-fluoro-N-methylpyridin-2-amine
SMILESCCC(C)N(C)c1nccc(CNC2CC2)c1F
InChIInChI=1S/C14H22FN3/c1-4-10(2)18(3)14-13(15)11(7-8-16-14)9-17-12-5-6-12/h7-8,10,12,17H,4-6,9H2,1-3H3
InChIKeyJHPMSZGULRLGTQ-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.71
Rot. Bonds6

About N-butan-2-yl-4-[(cyclopropylamino)methyl]-3-fluoro-N-methylpyridin-2-amine

N-butan-2-yl-4-[(cyclopropylamino)methyl]-3-fluoro-N-methylpyridin-2-amine (PubChem CID 105388956) has the molecular formula C14H22FN3 and a molecular weight of 251.35 g/mol. Its IUPAC name is N-butan-2-yl-4-[(cyclopropylamino)methyl]-3-fluoro-N-methylpyridin-2-amine.

Molecular Properties

Compound NameN-butan-2-yl-4-[(cyclopropylamino)methyl]-3-fluoro-N-methylpyridin-2-amine
PubChem CID105388956
Molecular FormulaC14H22FN3
Molecular Weight251.35 g/mol
Exact Mass251.18
IUPAC NameN-butan-2-yl-4-[(cyclopropylamino)methyl]-3-fluoro-N-methylpyridin-2-amine
SMILESCCC(C)N(C)c1nccc(CNC2CC2)c1F
InChIInChI=1S/C14H22FN3/c1-4-10(2)18(3)14-13(15)11(7-8-16-14)9-17-12-5-6-12/h7-8,10,12,17H,4-6,9H2,1-3H3
InChIKeyJHPMSZGULRLGTQ-UHFFFAOYSA-N
XLogP2.71
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(cyclopropylamino)methyl]-3-fluoro-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridin-2-amine
CID 105390479
4-[(cyclopropylamino)methyl]-3-fluoro-N-methyl-N-(2-methylbutyl)pyridin-2-amine
CID 105389047
N-butan-2-yl-4-[(cyclopropylamino)methyl]-3-fluoro-N-(2-methoxyethyl)pyridin-2-amine
CID 105389566
4-[(cyclopropylamino)methyl]-3-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 105389282
N-[[2-(1-ethoxypropan-2-yloxy)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine
CID 103490368
4-[(cyclopropylamino)methyl]-3-fluoro-N-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 105389144
4-(ethylaminomethyl)-3-fluoro-N-methyl-N-(4-methylpentan-2-yl)pyridin-2-amine
CID 105389605
3-[(cyclopropylamino)methyl]-N-methyl-N-propan-2-ylpyridin-2-amine
CID 62284786
4-[(cyclopropylamino)methyl]-3-fluoro-N-propylpyridin-2-amine
CID 105390346
N-[(3-fluoro-2-methyl-4-pyridinyl)methyl]piperidin-4-amine
CID 171815594
N-butan-2-yl-5-[(cyclopropylamino)methyl]-N,4-dimethylpyrimidin-2-amine
CID 83186362
N-[[3-fluoro-2-(2-methylsulfanylphenoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 105391467

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-[(cyclopropylamino)methyl]-3-fluoro-N-methylpyridin-2-amine?
The IUPAC name of N-butan-2-yl-4-[(cyclopropylamino)methyl]-3-fluoro-N-methylpyridin-2-amine (CID 105388956) is N-butan-2-yl-4-[(cyclopropylamino)methyl]-3-fluoro-N-methylpyridin-2-amine.
What is the SMILES notation for N-butan-2-yl-4-[(cyclopropylamino)methyl]-3-fluoro-N-methylpyridin-2-amine?
The canonical SMILES for N-butan-2-yl-4-[(cyclopropylamino)methyl]-3-fluoro-N-methylpyridin-2-amine is CCC(C)N(C)c1nccc(CNC2CC2)c1F.
What is the InChIKey of N-butan-2-yl-4-[(cyclopropylamino)methyl]-3-fluoro-N-methylpyridin-2-amine?
The InChIKey is JHPMSZGULRLGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3/c1-4-10(2)18(3)14-13(15)11(7-8-16-14)9-17-12-5-6-12/h7-8,10,12,17H,4-6,9H2,1-3H3.
What are the key properties of N-butan-2-yl-4-[(cyclopropylamino)methyl]-3-fluoro-N-methylpyridin-2-amine?
N-butan-2-yl-4-[(cyclopropylamino)methyl]-3-fluoro-N-methylpyridin-2-amine has a molecular weight of 251.35 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-[(cyclopropylamino)methyl]-3-fluoro-N-methylpyridin-2-amine is sourced from PubChem (CID 105388956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).