N-cyclopropyl-3-fluoro-4-(methylaminomethyl)-N-(2-methylpropyl)pyridin-2-amine

C14H22FN3 — CID 105389388

IUPACN-cyclopropyl-3-fluoro-4-(methylaminomethyl)-N-(2-methylpropyl)pyridin-2-amine
SMILESCNCc1ccnc(N(CC(C)C)C2CC2)c1F
InChIInChI=1S/C14H22FN3/c1-10(2)9-18(12-4-5-12)14-13(15)11(8-16-3)6-7-17-14/h6-7,10,12,16H,4-5,8-9H2,1-3H3
InChIKeyYRFBXVDZFFKACO-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.56
Rot. Bonds6

About N-cyclopropyl-3-fluoro-4-(methylaminomethyl)-N-(2-methylpropyl)pyridin-2-amine

N-cyclopropyl-3-fluoro-4-(methylaminomethyl)-N-(2-methylpropyl)pyridin-2-amine (PubChem CID 105389388) has the molecular formula C14H22FN3 and a molecular weight of 251.35 g/mol. Its IUPAC name is N-cyclopropyl-3-fluoro-4-(methylaminomethyl)-N-(2-methylpropyl)pyridin-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-3-fluoro-4-(methylaminomethyl)-N-(2-methylpropyl)pyridin-2-amine
PubChem CID105389388
Molecular FormulaC14H22FN3
Molecular Weight251.35 g/mol
Exact Mass251.18
IUPAC NameN-cyclopropyl-3-fluoro-4-(methylaminomethyl)-N-(2-methylpropyl)pyridin-2-amine
SMILESCNCc1ccnc(N(CC(C)C)C2CC2)c1F
InChIInChI=1S/C14H22FN3/c1-10(2)9-18(12-4-5-12)14-13(15)11(8-16-3)6-7-17-14/h6-7,10,12,16H,4-5,8-9H2,1-3H3
InChIKeyYRFBXVDZFFKACO-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-3-fluoro-N-(3-methylbutyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 105389656
4-(aminomethyl)-N-cyclopropyl-3-fluoro-N-(3-methylbutyl)pyridin-2-amine
CID 105389659
N-cyclopropyl-N-(cyclopropylmethyl)-4-(ethylaminomethyl)-3-fluoropyridin-2-amine
CID 105390010
3-[[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]-cyclopropylamino]propanenitrile
CID 105385441
4-(aminomethyl)-N-cyclopentyl-3-fluoro-N-(3-methylbutyl)pyridin-2-amine
CID 105390159
4-(chloromethyl)-N-cyclopropyl-N-ethyl-3-fluoropyridin-2-amine
CID 105383476
N-cyclopropyl-3-[1-(methylamino)ethyl]-N-(2-methylpropyl)pyridin-2-amine
CID 114056029
3-fluoro-N-methyl-4-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)pyridin-2-amine
CID 105389734
N-cyclopropyl-2-methyl-5-(methylaminomethyl)-N-(2-methylpropyl)pyridin-4-amine
CID 81246744
3-fluoro-N-methyl-N-(oxan-4-yl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 105389180
N-butan-2-yl-N-butyl-3-fluoro-4-(methylaminomethyl)pyridin-2-amine
CID 105389718
4-[(cyclopropylamino)methyl]-3-fluoro-N-methyl-N-(2-methylbutyl)pyridin-2-amine
CID 105389047

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-fluoro-4-(methylaminomethyl)-N-(2-methylpropyl)pyridin-2-amine?
The IUPAC name of N-cyclopropyl-3-fluoro-4-(methylaminomethyl)-N-(2-methylpropyl)pyridin-2-amine (CID 105389388) is N-cyclopropyl-3-fluoro-4-(methylaminomethyl)-N-(2-methylpropyl)pyridin-2-amine.
What is the SMILES notation for N-cyclopropyl-3-fluoro-4-(methylaminomethyl)-N-(2-methylpropyl)pyridin-2-amine?
The canonical SMILES for N-cyclopropyl-3-fluoro-4-(methylaminomethyl)-N-(2-methylpropyl)pyridin-2-amine is CNCc1ccnc(N(CC(C)C)C2CC2)c1F.
What is the InChIKey of N-cyclopropyl-3-fluoro-4-(methylaminomethyl)-N-(2-methylpropyl)pyridin-2-amine?
The InChIKey is YRFBXVDZFFKACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3/c1-10(2)9-18(12-4-5-12)14-13(15)11(8-16-3)6-7-17-14/h6-7,10,12,16H,4-5,8-9H2,1-3H3.
What are the key properties of N-cyclopropyl-3-fluoro-4-(methylaminomethyl)-N-(2-methylpropyl)pyridin-2-amine?
N-cyclopropyl-3-fluoro-4-(methylaminomethyl)-N-(2-methylpropyl)pyridin-2-amine has a molecular weight of 251.35 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-fluoro-4-(methylaminomethyl)-N-(2-methylpropyl)pyridin-2-amine is sourced from PubChem (CID 105389388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).