3-(3-amino-1-fluorocyclohexyl)-4-methylpyridin-2-amine

C12H18FN3 — CID 112567459

IUPAC3-(3-amino-1-fluorocyclohexyl)-4-methylpyridin-2-amine
SMILESCc1ccnc(N)c1C1(F)CCCC(N)C1
InChIInChI=1S/C12H18FN3/c1-8-4-6-16-11(15)10(8)12(13)5-2-3-9(14)7-12/h4,6,9H,2-3,5,7,14H2,1H3,(H2,15,16)
InChIKeyNEMCVLZZHKOANS-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.04
Rot. Bonds1

About 3-(3-amino-1-fluorocyclohexyl)-4-methylpyridin-2-amine

3-(3-amino-1-fluorocyclohexyl)-4-methylpyridin-2-amine (PubChem CID 112567459) has the molecular formula C12H18FN3 and a molecular weight of 223.29 g/mol. Its IUPAC name is 3-(3-amino-1-fluorocyclohexyl)-4-methylpyridin-2-amine.

Molecular Properties

Compound Name3-(3-amino-1-fluorocyclohexyl)-4-methylpyridin-2-amine
PubChem CID112567459
Molecular FormulaC12H18FN3
Molecular Weight223.29 g/mol
Exact Mass223.15
IUPAC Name3-(3-amino-1-fluorocyclohexyl)-4-methylpyridin-2-amine
SMILESCc1ccnc(N)c1C1(F)CCCC(N)C1
InChIInChI=1S/C12H18FN3/c1-8-4-6-16-11(15)10(8)12(13)5-2-3-9(14)7-12/h4,6,9H,2-3,5,7,14H2,1H3,(H2,15,16)
InChIKeyNEMCVLZZHKOANS-UHFFFAOYSA-N
XLogP2.04
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-3-(2-methylpyrazol-3-yl)cyclohexan-1-amine
CID 112567552
(2-amino-4-methyl-3-pyridinyl)-(3,3-difluorocyclohexyl)methanol
CID 114215752
3-(3,4-dichlorophenyl)-3-fluorocyclohexan-1-amine
CID 112567366
3-fluoro-3-(1-methylpyrazol-4-yl)cyclohexan-1-amine
CID 112567374
1-(2-amino-4-methyl-3-pyridinyl)-3-propan-2-ylcyclobutan-1-ol
CID 103564118
4-[(3-amino-1-fluorocyclohexyl)methyl]pyridin-2-amine
CID 112567457
3-(2,5-difluorophenyl)-3-fluorocyclohexan-1-amine
CID 112567534
3-fluoro-3-naphthalen-2-ylcyclohexan-1-amine
CID 112567408
3-fluoro-3-(2-methylphenyl)cyclopentan-1-amine
CID 112565649
4-(2-amino-4-methyl-3-pyridinyl)-1-azabicyclo[3.2.1]octan-4-ol
CID 105365733
3-fluoro-3-(quinolin-4-ylmethyl)cyclohexan-1-amine
CID 112567479
3-amino-1-[(2,5-dimethylphenyl)methyl]cyclohexan-1-ol
CID 80561179

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-1-fluorocyclohexyl)-4-methylpyridin-2-amine?
The IUPAC name of 3-(3-amino-1-fluorocyclohexyl)-4-methylpyridin-2-amine (CID 112567459) is 3-(3-amino-1-fluorocyclohexyl)-4-methylpyridin-2-amine.
What is the SMILES notation for 3-(3-amino-1-fluorocyclohexyl)-4-methylpyridin-2-amine?
The canonical SMILES for 3-(3-amino-1-fluorocyclohexyl)-4-methylpyridin-2-amine is Cc1ccnc(N)c1C1(F)CCCC(N)C1.
What is the InChIKey of 3-(3-amino-1-fluorocyclohexyl)-4-methylpyridin-2-amine?
The InChIKey is NEMCVLZZHKOANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3/c1-8-4-6-16-11(15)10(8)12(13)5-2-3-9(14)7-12/h4,6,9H,2-3,5,7,14H2,1H3,(H2,15,16).
What are the key properties of 3-(3-amino-1-fluorocyclohexyl)-4-methylpyridin-2-amine?
3-(3-amino-1-fluorocyclohexyl)-4-methylpyridin-2-amine has a molecular weight of 223.29 g/mol, XLogP of 2.04, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-1-fluorocyclohexyl)-4-methylpyridin-2-amine is sourced from PubChem (CID 112567459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).