N-butan-2-yl-N-butyl-3-fluoro-4-(methylaminomethyl)pyridin-2-amine

C15H26FN3 — CID 105389718

IUPACN-butan-2-yl-N-butyl-3-fluoro-4-(methylaminomethyl)pyridin-2-amine
SMILESCCCCN(c1nccc(CNC)c1F)C(C)CC
InChIInChI=1S/C15H26FN3/c1-5-7-10-19(12(3)6-2)15-14(16)13(11-17-4)8-9-18-15/h8-9,12,17H,5-7,10-11H2,1-4H3
InChIKeyXZTLUIDRDNFNRJ-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.35
Rot. Bonds8

About N-butan-2-yl-N-butyl-3-fluoro-4-(methylaminomethyl)pyridin-2-amine

N-butan-2-yl-N-butyl-3-fluoro-4-(methylaminomethyl)pyridin-2-amine (PubChem CID 105389718) has the molecular formula C15H26FN3 and a molecular weight of 267.39 g/mol. Its IUPAC name is N-butan-2-yl-N-butyl-3-fluoro-4-(methylaminomethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-butan-2-yl-N-butyl-3-fluoro-4-(methylaminomethyl)pyridin-2-amine
PubChem CID105389718
Molecular FormulaC15H26FN3
Molecular Weight267.39 g/mol
Exact Mass267.21
IUPAC NameN-butan-2-yl-N-butyl-3-fluoro-4-(methylaminomethyl)pyridin-2-amine
SMILESCCCCN(c1nccc(CNC)c1F)C(C)CC
InChIInChI=1S/C15H26FN3/c1-5-7-10-19(12(3)6-2)15-14(16)13(11-17-4)8-9-18-15/h8-9,12,17H,5-7,10-11H2,1-4H3
InChIKeyXZTLUIDRDNFNRJ-UHFFFAOYSA-N
XLogP3.35
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-N-butyl-4-(ethylaminomethyl)-3-fluoropyridin-2-amine
CID 105389714
N-butan-2-yl-N-butyl-4-(chloromethyl)-3-fluoropyridin-2-amine
CID 105383556
N-butan-2-yl-N-butyl-3-(methylaminomethyl)pyridin-2-amine
CID 62287854
1-(3-fluoro-2-hexoxy-4-pyridinyl)-N-methylmethanamine
CID 105390952
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
N-butan-2-yl-4-(chloromethyl)-3-fluoro-N-(2-methoxyethyl)pyridin-2-amine
CID 105383553
1-(3-fluoro-2-propoxy-4-pyridinyl)-N-methylmethanamine
CID 105390997
N-butan-2-yl-N-butyl-4-methyl-5-(methylaminomethyl)pyrimidin-2-amine
CID 83186165
N-butan-2-yl-N-butyl-5-(methylaminomethyl)pyrimidin-2-amine
CID 113388169
N-cyclopropyl-3-fluoro-4-(methylaminomethyl)-N-(2-methylpropyl)pyridin-2-amine
CID 105389388
N-butan-2-yl-N-butyl-2-fluoro-4-(methylaminomethyl)aniline
CID 55005435

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-butyl-3-fluoro-4-(methylaminomethyl)pyridin-2-amine?
The IUPAC name of N-butan-2-yl-N-butyl-3-fluoro-4-(methylaminomethyl)pyridin-2-amine (CID 105389718) is N-butan-2-yl-N-butyl-3-fluoro-4-(methylaminomethyl)pyridin-2-amine.
What is the SMILES notation for N-butan-2-yl-N-butyl-3-fluoro-4-(methylaminomethyl)pyridin-2-amine?
The canonical SMILES for N-butan-2-yl-N-butyl-3-fluoro-4-(methylaminomethyl)pyridin-2-amine is CCCCN(c1nccc(CNC)c1F)C(C)CC.
What is the InChIKey of N-butan-2-yl-N-butyl-3-fluoro-4-(methylaminomethyl)pyridin-2-amine?
The InChIKey is XZTLUIDRDNFNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26FN3/c1-5-7-10-19(12(3)6-2)15-14(16)13(11-17-4)8-9-18-15/h8-9,12,17H,5-7,10-11H2,1-4H3.
What are the key properties of N-butan-2-yl-N-butyl-3-fluoro-4-(methylaminomethyl)pyridin-2-amine?
N-butan-2-yl-N-butyl-3-fluoro-4-(methylaminomethyl)pyridin-2-amine has a molecular weight of 267.39 g/mol, XLogP of 3.35, 8 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-3-fluoro-4-(methylaminomethyl)pyridin-2-amine is sourced from PubChem (CID 105389718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).