3-(aminomethyl)-5-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine

C14H24FN3 — CID 114035468

IUPAC3-(aminomethyl)-5-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine
SMILESCC(C)C(CNc1ncc(F)cc1CN)C(C)C
InChIInChI=1S/C14H24FN3/c1-9(2)13(10(3)4)8-18-14-11(6-16)5-12(15)7-17-14/h5,7,9-10,13H,6,8,16H2,1-4H3,(H,17,18)
InChIKeyFFRMADBNODICAQ-UHFFFAOYSA-N
MW253.36 g/mol
LogP3.02
Rot. Bonds6

About 3-(aminomethyl)-5-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine

3-(aminomethyl)-5-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine (PubChem CID 114035468) has the molecular formula C14H24FN3 and a molecular weight of 253.36 g/mol. Its IUPAC name is 3-(aminomethyl)-5-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine.

Molecular Properties

Compound Name3-(aminomethyl)-5-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine
PubChem CID114035468
Molecular FormulaC14H24FN3
Molecular Weight253.36 g/mol
Exact Mass253.20
IUPAC Name3-(aminomethyl)-5-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine
SMILESCC(C)C(CNc1ncc(F)cc1CN)C(C)C
InChIInChI=1S/C14H24FN3/c1-9(2)13(10(3)4)8-18-14-11(6-16)5-12(15)7-17-14/h5,7,9-10,13H,6,8,16H2,1-4H3,(H,17,18)
InChIKeyFFRMADBNODICAQ-UHFFFAOYSA-N
XLogP3.02
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(aminomethyl)-5-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-difluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine
CID 102913974
5-bromo-N-(3-methyl-2-propan-2-ylbutyl)-3-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 102915259
N-(3,5-difluoro-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine
CID 112676237
2-N-(3-methyl-2-propan-2-ylbutyl)pyrazine-2,5-diamine
CID 102908730
3,5-difluoro-N-(2-methyl-3-methylsulfanylpropyl)pyridin-2-amine
CID 112675888
[5-chloro-6-[(3-methyl-2-propan-2-ylbutyl)amino]-3-pyridinyl]methanol
CID 102915156
2-N-(3,5-difluoro-2-pyridinyl)-2,3-dimethylbutane-1,2-diamine
CID 112676247
3-chloro-5-(methylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine
CID 102915299
tert-butyl N-[2-[[3-(aminomethyl)-5-fluoro-2-pyridinyl]oxy]propyl]carbamate
CID 175364559
5-methyl-N-(3-methyl-2-propan-2-ylbutyl)-3-nitropyridin-2-amine
CID 102913909
1-N-(3,5-difluoro-2-pyridinyl)pentane-1,4-diamine
CID 106127704
1-N-(5-chloro-3-fluoro-2-pyridinyl)-3-methylbutane-1,2-diamine
CID 79728261

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine?
The IUPAC name of 3-(aminomethyl)-5-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine (CID 114035468) is 3-(aminomethyl)-5-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine.
What is the SMILES notation for 3-(aminomethyl)-5-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine?
The canonical SMILES for 3-(aminomethyl)-5-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine is CC(C)C(CNc1ncc(F)cc1CN)C(C)C.
What is the InChIKey of 3-(aminomethyl)-5-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine?
The InChIKey is FFRMADBNODICAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FN3/c1-9(2)13(10(3)4)8-18-14-11(6-16)5-12(15)7-17-14/h5,7,9-10,13H,6,8,16H2,1-4H3,(H,17,18).
What are the key properties of 3-(aminomethyl)-5-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine?
3-(aminomethyl)-5-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine has a molecular weight of 253.36 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine is sourced from PubChem (CID 114035468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).