3-[3-[[(1R,2S)-2-fluorocyclopropyl]amino]butoxy]-N-propan-2-ylcyclobutan-1-amine

C14H27FN2O — CID 170154282

IUPAC3-[3-[[(1R,2S)-2-fluorocyclopropyl]amino]butoxy]-N-propan-2-ylcyclobutan-1-amine
SMILESCC(C)NC1CC(OCCC(C)N[C@@H]2C[C@@H]2F)C1
InChIInChI=1S/C14H27FN2O/c1-9(2)16-11-6-12(7-11)18-5-4-10(3)17-14-8-13(14)15/h9-14,16-17H,4-8H2,1-3H3/t10?,11?,12?,13-,14+/m0/s1
InChIKeyBBDRDZSEIINHED-OTRKIEDLSA-N
MW258.38 g/mol
LogP2.01
Rot. Bonds8

About 3-[3-[[(1R,2S)-2-fluorocyclopropyl]amino]butoxy]-N-propan-2-ylcyclobutan-1-amine

3-[3-[[(1R,2S)-2-fluorocyclopropyl]amino]butoxy]-N-propan-2-ylcyclobutan-1-amine (PubChem CID 170154282) has the molecular formula C14H27FN2O and a molecular weight of 258.38 g/mol. Its IUPAC name is 3-[3-[[(1R,2S)-2-fluorocyclopropyl]amino]butoxy]-N-propan-2-ylcyclobutan-1-amine.

Molecular Properties

Compound Name3-[3-[[(1R,2S)-2-fluorocyclopropyl]amino]butoxy]-N-propan-2-ylcyclobutan-1-amine
PubChem CID170154282
Molecular FormulaC14H27FN2O
Molecular Weight258.38 g/mol
Exact Mass258.21
IUPAC Name3-[3-[[(1R,2S)-2-fluorocyclopropyl]amino]butoxy]-N-propan-2-ylcyclobutan-1-amine
SMILESCC(C)NC1CC(OCCC(C)N[C@@H]2C[C@@H]2F)C1
InChIInChI=1S/C14H27FN2O/c1-9(2)16-11-6-12(7-11)18-5-4-10(3)17-14-8-13(14)15/h9-14,16-17H,4-8H2,1-3H3/t10?,11?,12?,13-,14+/m0/s1
InChIKeyBBDRDZSEIINHED-OTRKIEDLSA-N
XLogP2.01
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.38
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[3-[[(1R,2S)-2-fluorocyclopropyl]amino]butoxy]-N-propan-2-ylcyclobutan-1-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 3-[3-[[(1R,2S)-2-fluorocyclopropyl]amino]butoxy]-N-propan-2-ylcyclobutan-1-amine?
The IUPAC name of 3-[3-[[(1R,2S)-2-fluorocyclopropyl]amino]butoxy]-N-propan-2-ylcyclobutan-1-amine (CID 170154282) is 3-[3-[[(1R,2S)-2-fluorocyclopropyl]amino]butoxy]-N-propan-2-ylcyclobutan-1-amine.
What is the SMILES notation for 3-[3-[[(1R,2S)-2-fluorocyclopropyl]amino]butoxy]-N-propan-2-ylcyclobutan-1-amine?
The canonical SMILES for 3-[3-[[(1R,2S)-2-fluorocyclopropyl]amino]butoxy]-N-propan-2-ylcyclobutan-1-amine is CC(C)NC1CC(OCCC(C)N[C@@H]2C[C@@H]2F)C1.
What is the InChIKey of 3-[3-[[(1R,2S)-2-fluorocyclopropyl]amino]butoxy]-N-propan-2-ylcyclobutan-1-amine?
The InChIKey is BBDRDZSEIINHED-OTRKIEDLSA-N. The full InChI is InChI=1S/C14H27FN2O/c1-9(2)16-11-6-12(7-11)18-5-4-10(3)17-14-8-13(14)15/h9-14,16-17H,4-8H2,1-3H3/t10?,11?,12?,13-,14+/m0/s1.
What are the key properties of 3-[3-[[(1R,2S)-2-fluorocyclopropyl]amino]butoxy]-N-propan-2-ylcyclobutan-1-amine?
3-[3-[[(1R,2S)-2-fluorocyclopropyl]amino]butoxy]-N-propan-2-ylcyclobutan-1-amine has a molecular weight of 258.38 g/mol, XLogP of 2.01, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[(1R,2S)-2-fluorocyclopropyl]amino]butoxy]-N-propan-2-ylcyclobutan-1-amine is sourced from PubChem (CID 170154282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).