N-propyl-N'-[[2-(trifluoromethyl)cyclohexyl]methyl]ethane-1,2-diamine

C13H25F3N2 — CID 113433966

IUPACN-propyl-N'-[[2-(trifluoromethyl)cyclohexyl]methyl]ethane-1,2-diamine
SMILESCCCNCCNCC1CCCCC1C(F)(F)F
InChIInChI=1S/C13H25F3N2/c1-2-7-17-8-9-18-10-11-5-3-4-6-12(11)13(14,15)16/h11-12,17-18H,2-10H2,1H3
InChIKeySAXCFIOXUWNGLV-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.94
Rot. Bonds7

About N-propyl-N'-[[2-(trifluoromethyl)cyclohexyl]methyl]ethane-1,2-diamine

N-propyl-N'-[[2-(trifluoromethyl)cyclohexyl]methyl]ethane-1,2-diamine (PubChem CID 113433966) has the molecular formula C13H25F3N2 and a molecular weight of 266.35 g/mol. Its IUPAC name is N-propyl-N'-[[2-(trifluoromethyl)cyclohexyl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-propyl-N'-[[2-(trifluoromethyl)cyclohexyl]methyl]ethane-1,2-diamine
PubChem CID113433966
Molecular FormulaC13H25F3N2
Molecular Weight266.35 g/mol
Exact Mass266.20
IUPAC NameN-propyl-N'-[[2-(trifluoromethyl)cyclohexyl]methyl]ethane-1,2-diamine
SMILESCCCNCCNCC1CCCCC1C(F)(F)F
InChIInChI=1S/C13H25F3N2/c1-2-7-17-8-9-18-10-11-5-3-4-6-12(11)13(14,15)16/h11-12,17-18H,2-10H2,1H3
InChIKeySAXCFIOXUWNGLV-UHFFFAOYSA-N
XLogP2.94
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N',N'-dimethyl-N-[[2-(trifluoromethyl)cyclohexyl]methyl]ethane-1,2-diamine
CID 113433967
(2S)-1-ethyl-2-(trifluoromethyl)cyclohexane
CID 135256943
[2-(trifluoromethyl)cyclohexyl]methylhydrazine
CID 104622067
N-[[2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methyl]propan-1-amine
CID 116628168
N-[[2-(4-chlorophenyl)cyclohexyl]methyl]propan-1-amine
CID 81027108
N'-(cyclohexylmethyl)-N-propylethane-1,2-diamine
CID 62559758
N-[(2-butylcyclohexyl)methyl]propan-1-amine
CID 81028150
N-[(2-cyclohexylcycloheptyl)methyl]propan-1-amine
CID 81026009
1-N-(2-methylpropyl)-2-N-[[2-(trifluoromethyl)cyclohexyl]methyl]propane-1,2-diamine
CID 104622104
N-[[2-(4-cyclobutylphenyl)cyclohexyl]methyl]propan-1-amine
CID 116507109
N-[(2-prop-2-enylcyclohexyl)methyl]propan-1-amine
CID 81027769
N-[(2-nonylcyclohexyl)methyl]propan-1-amine
CID 81028144

Frequently Asked Questions

What is the IUPAC name of N-propyl-N'-[[2-(trifluoromethyl)cyclohexyl]methyl]ethane-1,2-diamine?
The IUPAC name of N-propyl-N'-[[2-(trifluoromethyl)cyclohexyl]methyl]ethane-1,2-diamine (CID 113433966) is N-propyl-N'-[[2-(trifluoromethyl)cyclohexyl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N-propyl-N'-[[2-(trifluoromethyl)cyclohexyl]methyl]ethane-1,2-diamine?
The canonical SMILES for N-propyl-N'-[[2-(trifluoromethyl)cyclohexyl]methyl]ethane-1,2-diamine is CCCNCCNCC1CCCCC1C(F)(F)F.
What is the InChIKey of N-propyl-N'-[[2-(trifluoromethyl)cyclohexyl]methyl]ethane-1,2-diamine?
The InChIKey is SAXCFIOXUWNGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2/c1-2-7-17-8-9-18-10-11-5-3-4-6-12(11)13(14,15)16/h11-12,17-18H,2-10H2,1H3.
What are the key properties of N-propyl-N'-[[2-(trifluoromethyl)cyclohexyl]methyl]ethane-1,2-diamine?
N-propyl-N'-[[2-(trifluoromethyl)cyclohexyl]methyl]ethane-1,2-diamine has a molecular weight of 266.35 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N'-[[2-(trifluoromethyl)cyclohexyl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 113433966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).