1-cyclopropyl-N-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]methanamine

C13H21F3N2 — CID 90353684

IUPAC1-cyclopropyl-N-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]methanamine
SMILESFC(F)(F)CCN1CC2C(CNCC3CC3)C2C1
InChIInChI=1S/C13H21F3N2/c14-13(15,16)3-4-18-7-11-10(12(11)8-18)6-17-5-9-1-2-9/h9-12,17H,1-8H2
InChIKeyATVJXSJKIHWIOK-UHFFFAOYSA-N
MW262.32 g/mol
LogP2.12
Rot. Bonds6

About 1-cyclopropyl-N-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]methanamine

1-cyclopropyl-N-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]methanamine (PubChem CID 90353684) has the molecular formula C13H21F3N2 and a molecular weight of 262.32 g/mol. Its IUPAC name is 1-cyclopropyl-N-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]methanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]methanamine
PubChem CID90353684
Molecular FormulaC13H21F3N2
Molecular Weight262.32 g/mol
Exact Mass262.17
IUPAC Name1-cyclopropyl-N-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]methanamine
SMILESFC(F)(F)CCN1CC2C(CNCC3CC3)C2C1
InChIInChI=1S/C13H21F3N2/c14-13(15,16)3-4-18-7-11-10(12(11)8-18)6-17-5-9-1-2-9/h9-12,17H,1-8H2
InChIKeyATVJXSJKIHWIOK-UHFFFAOYSA-N
XLogP2.12
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-cyclopropyl-N-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]methanamine 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 1-cyclopropyl-N-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]methanamine?
The IUPAC name of 1-cyclopropyl-N-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]methanamine (CID 90353684) is 1-cyclopropyl-N-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]methanamine.
What is the SMILES notation for 1-cyclopropyl-N-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]methanamine?
The canonical SMILES for 1-cyclopropyl-N-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]methanamine is FC(F)(F)CCN1CC2C(CNCC3CC3)C2C1.
What is the InChIKey of 1-cyclopropyl-N-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]methanamine?
The InChIKey is ATVJXSJKIHWIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2/c14-13(15,16)3-4-18-7-11-10(12(11)8-18)6-17-5-9-1-2-9/h9-12,17H,1-8H2.
What are the key properties of 1-cyclopropyl-N-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]methanamine?
1-cyclopropyl-N-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]methanamine has a molecular weight of 262.32 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]methanamine is sourced from PubChem (CID 90353684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).