N'-(2-bicyclo[2.2.1]heptanylmethyl)-N'-methyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C13H23F3N2 — CID 55233639

IUPACN'-(2-bicyclo[2.2.1]heptanylmethyl)-N'-methyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCN(CCNCC(F)(F)F)CC1CC2CCC1C2
InChIInChI=1S/C13H23F3N2/c1-18(5-4-17-9-13(14,15)16)8-12-7-10-2-3-11(12)6-10/h10-12,17H,2-9H2,1H3
InChIKeyMYTYTXOIRJMCLY-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.51
Rot. Bonds6

About N'-(2-bicyclo[2.2.1]heptanylmethyl)-N'-methyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine

N'-(2-bicyclo[2.2.1]heptanylmethyl)-N'-methyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 55233639) has the molecular formula C13H23F3N2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N'-(2-bicyclo[2.2.1]heptanylmethyl)-N'-methyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-bicyclo[2.2.1]heptanylmethyl)-N'-methyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID55233639
Molecular FormulaC13H23F3N2
Molecular Weight264.33 g/mol
Exact Mass264.18
IUPAC NameN'-(2-bicyclo[2.2.1]heptanylmethyl)-N'-methyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCN(CCNCC(F)(F)F)CC1CC2CCC1C2
InChIInChI=1S/C13H23F3N2/c1-18(5-4-17-9-13(14,15)16)8-12-7-10-2-3-11(12)6-10/h10-12,17H,2-9H2,1H3
InChIKeyMYTYTXOIRJMCLY-UHFFFAOYSA-N
XLogP2.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-(2-bicyclo[2.2.1]heptanylmethyl)-N'-methyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine 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

N'-(2-bicyclo[2.2.1]heptanylmethyl)-N-(cyclopropylmethyl)-N'-methylethane-1,2-diamine
CID 55232044
N'-(2-bicyclo[2.2.1]heptanylmethyl)-N-tert-butyl-N'-methylethane-1,2-diamine
CID 63683794
N'-(2-bicyclo[2.2.1]heptanylmethyl)-N-(4-fluorophenyl)-N'-methylethane-1,2-diamine
CID 63685539
methyl 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]propanoate
CID 63684175
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,4,4-trimethyl-3-N-propylpentane-1,3-diamine
CID 63682707
[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl-trifluoroboranuide
CID 63685558
N'-(2-bicyclo[2.2.1]heptanylmethyl)-N-(1,1-dioxothiolan-3-yl)-N'-methylethane-1,2-diamine
CID 63682211
N-[[5-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine
CID 63683736
N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(3-chlorocyclobutyl)-N-methylmethanamine
CID 79550427
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N-ethyl-1-N,2-dimethylpropane-1,2-diamine
CID 63682697
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,4-N-dimethylpentane-1,4-diamine
CID 63683963
1-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3-(ethylamino)propan-2-ol
CID 63682237

Frequently Asked Questions

What is the IUPAC name of N'-(2-bicyclo[2.2.1]heptanylmethyl)-N'-methyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N'-(2-bicyclo[2.2.1]heptanylmethyl)-N'-methyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 55233639) is N'-(2-bicyclo[2.2.1]heptanylmethyl)-N'-methyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-bicyclo[2.2.1]heptanylmethyl)-N'-methyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-bicyclo[2.2.1]heptanylmethyl)-N'-methyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine is CN(CCNCC(F)(F)F)CC1CC2CCC1C2.
What is the InChIKey of N'-(2-bicyclo[2.2.1]heptanylmethyl)-N'-methyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is MYTYTXOIRJMCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2/c1-18(5-4-17-9-13(14,15)16)8-12-7-10-2-3-11(12)6-10/h10-12,17H,2-9H2,1H3.
What are the key properties of N'-(2-bicyclo[2.2.1]heptanylmethyl)-N'-methyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N'-(2-bicyclo[2.2.1]heptanylmethyl)-N'-methyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 264.33 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-bicyclo[2.2.1]heptanylmethyl)-N'-methyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 55233639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).