N-butan-2-yl-N-butyl-4-(ethylaminomethyl)-3-fluoropyridin-2-amine

C16H28FN3 — CID 105389714

IUPACN-butan-2-yl-N-butyl-4-(ethylaminomethyl)-3-fluoropyridin-2-amine
SMILESCCCCN(c1nccc(CNCC)c1F)C(C)CC
InChIInChI=1S/C16H28FN3/c1-5-8-11-20(13(4)6-2)16-15(17)14(9-10-19-16)12-18-7-3/h9-10,13,18H,5-8,11-12H2,1-4H3
InChIKeyOXBRUTFXHZYNKC-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.74
Rot. Bonds9

About N-butan-2-yl-N-butyl-4-(ethylaminomethyl)-3-fluoropyridin-2-amine

N-butan-2-yl-N-butyl-4-(ethylaminomethyl)-3-fluoropyridin-2-amine (PubChem CID 105389714) has the molecular formula C16H28FN3 and a molecular weight of 281.42 g/mol. Its IUPAC name is N-butan-2-yl-N-butyl-4-(ethylaminomethyl)-3-fluoropyridin-2-amine.

Molecular Properties

Compound NameN-butan-2-yl-N-butyl-4-(ethylaminomethyl)-3-fluoropyridin-2-amine
PubChem CID105389714
Molecular FormulaC16H28FN3
Molecular Weight281.42 g/mol
Exact Mass281.23
IUPAC NameN-butan-2-yl-N-butyl-4-(ethylaminomethyl)-3-fluoropyridin-2-amine
SMILESCCCCN(c1nccc(CNCC)c1F)C(C)CC
InChIInChI=1S/C16H28FN3/c1-5-8-11-20(13(4)6-2)16-15(17)14(9-10-19-16)12-18-7-3/h9-10,13,18H,5-8,11-12H2,1-4H3
InChIKeyOXBRUTFXHZYNKC-UHFFFAOYSA-N
XLogP3.74
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-N-butyl-3-fluoro-4-(methylaminomethyl)pyridin-2-amine
CID 105389718
N-butan-2-yl-N-butyl-4-(chloromethyl)-3-fluoropyridin-2-amine
CID 105383556
N-(cyclopropylmethyl)-4-(ethylaminomethyl)-3-fluoro-N-propan-2-ylpyridin-2-amine
CID 105389642
N'-[4-(ethylaminomethyl)-3-fluoro-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine
CID 105389911
4-(ethylaminomethyl)-3-fluoro-N-methyl-N-(4-methylpentan-2-yl)pyridin-2-amine
CID 105389605
N-butan-2-yl-N-butyl-2-(ethylaminomethyl)-4-fluoroaniline
CID 63551014
N-butan-2-yl-N-butyl-3-(methylaminomethyl)pyridin-2-amine
CID 62287854
N-butan-2-yl-4-[(cyclopropylamino)methyl]-3-fluoro-N-(2-methoxyethyl)pyridin-2-amine
CID 105389566
4-[(tert-butylamino)methyl]-3-fluoro-N-propan-2-yl-N-propylpyridin-2-amine
CID 105384781
3-fluoro-N-propan-2-yl-4-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 105389253
4-(ethylaminomethyl)-3-fluoro-N-methyl-N-pent-4-enylpyridin-2-amine
CID 105390420
N-butan-2-yl-4-(chloromethyl)-3-fluoro-N-(2-methoxyethyl)pyridin-2-amine
CID 105383553

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-butyl-4-(ethylaminomethyl)-3-fluoropyridin-2-amine?
The IUPAC name of N-butan-2-yl-N-butyl-4-(ethylaminomethyl)-3-fluoropyridin-2-amine (CID 105389714) is N-butan-2-yl-N-butyl-4-(ethylaminomethyl)-3-fluoropyridin-2-amine.
What is the SMILES notation for N-butan-2-yl-N-butyl-4-(ethylaminomethyl)-3-fluoropyridin-2-amine?
The canonical SMILES for N-butan-2-yl-N-butyl-4-(ethylaminomethyl)-3-fluoropyridin-2-amine is CCCCN(c1nccc(CNCC)c1F)C(C)CC.
What is the InChIKey of N-butan-2-yl-N-butyl-4-(ethylaminomethyl)-3-fluoropyridin-2-amine?
The InChIKey is OXBRUTFXHZYNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28FN3/c1-5-8-11-20(13(4)6-2)16-15(17)14(9-10-19-16)12-18-7-3/h9-10,13,18H,5-8,11-12H2,1-4H3.
What are the key properties of N-butan-2-yl-N-butyl-4-(ethylaminomethyl)-3-fluoropyridin-2-amine?
N-butan-2-yl-N-butyl-4-(ethylaminomethyl)-3-fluoropyridin-2-amine has a molecular weight of 281.42 g/mol, XLogP of 3.74, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-butyl-4-(ethylaminomethyl)-3-fluoropyridin-2-amine is sourced from PubChem (CID 105389714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).