N-[3-(4-aminocyclohexyl)oxypropyl]-5-fluoropyridin-2-amine

C14H22FN3O — CID 63870709

IUPACN-[3-(4-aminocyclohexyl)oxypropyl]-5-fluoropyridin-2-amine
SMILESNC1CCC(OCCCNc2ccc(F)cn2)CC1
InChIInChI=1S/C14H22FN3O/c15-11-2-7-14(18-10-11)17-8-1-9-19-13-5-3-12(16)4-6-13/h2,7,10,12-13H,1,3-6,8-9,16H2,(H,17,18)
InChIKeyBEZONDPKSLLQRN-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.31
Rot. Bonds6

About N-[3-(4-aminocyclohexyl)oxypropyl]-5-fluoropyridin-2-amine

N-[3-(4-aminocyclohexyl)oxypropyl]-5-fluoropyridin-2-amine (PubChem CID 63870709) has the molecular formula C14H22FN3O and a molecular weight of 267.35 g/mol. Its IUPAC name is N-[3-(4-aminocyclohexyl)oxypropyl]-5-fluoropyridin-2-amine.

Molecular Properties

Compound NameN-[3-(4-aminocyclohexyl)oxypropyl]-5-fluoropyridin-2-amine
PubChem CID63870709
Molecular FormulaC14H22FN3O
Molecular Weight267.35 g/mol
Exact Mass267.17
IUPAC NameN-[3-(4-aminocyclohexyl)oxypropyl]-5-fluoropyridin-2-amine
SMILESNC1CCC(OCCCNc2ccc(F)cn2)CC1
InChIInChI=1S/C14H22FN3O/c15-11-2-7-14(18-10-11)17-8-1-9-19-13-5-3-12(16)4-6-13/h2,7,10,12-13H,1,3-6,8-9,16H2,(H,17,18)
InChIKeyBEZONDPKSLLQRN-UHFFFAOYSA-N
XLogP2.31
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(4-aminocyclohexyl)oxypropyl]-5-fluoropyridin-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

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-aminocyclohexyl)oxypropyl]-5-fluoropyridin-2-amine?
The IUPAC name of N-[3-(4-aminocyclohexyl)oxypropyl]-5-fluoropyridin-2-amine (CID 63870709) is N-[3-(4-aminocyclohexyl)oxypropyl]-5-fluoropyridin-2-amine.
What is the SMILES notation for N-[3-(4-aminocyclohexyl)oxypropyl]-5-fluoropyridin-2-amine?
The canonical SMILES for N-[3-(4-aminocyclohexyl)oxypropyl]-5-fluoropyridin-2-amine is NC1CCC(OCCCNc2ccc(F)cn2)CC1.
What is the InChIKey of N-[3-(4-aminocyclohexyl)oxypropyl]-5-fluoropyridin-2-amine?
The InChIKey is BEZONDPKSLLQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O/c15-11-2-7-14(18-10-11)17-8-1-9-19-13-5-3-12(16)4-6-13/h2,7,10,12-13H,1,3-6,8-9,16H2,(H,17,18).
What are the key properties of N-[3-(4-aminocyclohexyl)oxypropyl]-5-fluoropyridin-2-amine?
N-[3-(4-aminocyclohexyl)oxypropyl]-5-fluoropyridin-2-amine has a molecular weight of 267.35 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-aminocyclohexyl)oxypropyl]-5-fluoropyridin-2-amine is sourced from PubChem (CID 63870709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).