1-N-(2-methylpropyl)-2-N-[[2-(trifluoromethyl)cyclohexyl]methyl]propane-1,2-diamine

C15H29F3N2 — CID 104622104

IUPAC1-N-(2-methylpropyl)-2-N-[[2-(trifluoromethyl)cyclohexyl]methyl]propane-1,2-diamine
SMILESCC(C)CNCC(C)NCC1CCCCC1C(F)(F)F
InChIInChI=1S/C15H29F3N2/c1-11(2)8-19-9-12(3)20-10-13-6-4-5-7-14(13)15(16,17)18/h11-14,19-20H,4-10H2,1-3H3
InChIKeyRKQOKMIBNQBRTC-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.58
Rot. Bonds7

About 1-N-(2-methylpropyl)-2-N-[[2-(trifluoromethyl)cyclohexyl]methyl]propane-1,2-diamine

1-N-(2-methylpropyl)-2-N-[[2-(trifluoromethyl)cyclohexyl]methyl]propane-1,2-diamine (PubChem CID 104622104) has the molecular formula C15H29F3N2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-N-(2-methylpropyl)-2-N-[[2-(trifluoromethyl)cyclohexyl]methyl]propane-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-methylpropyl)-2-N-[[2-(trifluoromethyl)cyclohexyl]methyl]propane-1,2-diamine
PubChem CID104622104
Molecular FormulaC15H29F3N2
Molecular Weight294.40 g/mol
Exact Mass294.23
IUPAC Name1-N-(2-methylpropyl)-2-N-[[2-(trifluoromethyl)cyclohexyl]methyl]propane-1,2-diamine
SMILESCC(C)CNCC(C)NCC1CCCCC1C(F)(F)F
InChIInChI=1S/C15H29F3N2/c1-11(2)8-19-9-12(3)20-10-13-6-4-5-7-14(13)15(16,17)18/h11-14,19-20H,4-10H2,1-3H3
InChIKeyRKQOKMIBNQBRTC-UHFFFAOYSA-N
XLogP3.58
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-N-(2-methylpropyl)-2-N-[[2-(trifluoromethyl)cyclohexyl]methyl]propane-1,2-diamine with MolForge

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Related Compounds

N-[(1S)-1-cyclohexylethyl]-2,2,2-trifluoroethanamine
CID 81385216
[(1S)-1-cyclohexylethyl]-(2,2,2-trifluoroethyl)azanium
CID 164667452
Cyclohexane, 1-(aminoethylaminomethyl)-2-methyl-
CID 148772553
trans-Cyclohexyldiethylenetriamine
CID 129720916
N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 119043952
2-(4-Fluorocyclohexyl)-5-methylpiperazine
CID 20603163
N-propan-2-yl-4-(trifluoromethyl)cyclohexan-1-amine
CID 21034320
4-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 24705824
4-ethyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 28370940
N-(2-methylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 43434609
N-ethyl-4-(trifluoromethyl)cyclohexan-1-amine
CID 43435858
N-propan-2-yl-3-(trifluoromethyl)cyclohexan-1-amine
CID 43747479

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-methylpropyl)-2-N-[[2-(trifluoromethyl)cyclohexyl]methyl]propane-1,2-diamine?
The IUPAC name of 1-N-(2-methylpropyl)-2-N-[[2-(trifluoromethyl)cyclohexyl]methyl]propane-1,2-diamine (CID 104622104) is 1-N-(2-methylpropyl)-2-N-[[2-(trifluoromethyl)cyclohexyl]methyl]propane-1,2-diamine.
What is the SMILES notation for 1-N-(2-methylpropyl)-2-N-[[2-(trifluoromethyl)cyclohexyl]methyl]propane-1,2-diamine?
The canonical SMILES for 1-N-(2-methylpropyl)-2-N-[[2-(trifluoromethyl)cyclohexyl]methyl]propane-1,2-diamine is CC(C)CNCC(C)NCC1CCCCC1C(F)(F)F.
What is the InChIKey of 1-N-(2-methylpropyl)-2-N-[[2-(trifluoromethyl)cyclohexyl]methyl]propane-1,2-diamine?
The InChIKey is RKQOKMIBNQBRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29F3N2/c1-11(2)8-19-9-12(3)20-10-13-6-4-5-7-14(13)15(16,17)18/h11-14,19-20H,4-10H2,1-3H3.
What are the key properties of 1-N-(2-methylpropyl)-2-N-[[2-(trifluoromethyl)cyclohexyl]methyl]propane-1,2-diamine?
1-N-(2-methylpropyl)-2-N-[[2-(trifluoromethyl)cyclohexyl]methyl]propane-1,2-diamine has a molecular weight of 294.40 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-methylpropyl)-2-N-[[2-(trifluoromethyl)cyclohexyl]methyl]propane-1,2-diamine is sourced from PubChem (CID 104622104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).