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

C15H29F3N2 — CID 104622103

IUPAC1-N-tert-butyl-2-N-[[2-(trifluoromethyl)cyclohexyl]methyl]propane-1,2-diamine
SMILESCC(CNC(C)(C)C)NCC1CCCCC1C(F)(F)F
InChIInChI=1S/C15H29F3N2/c1-11(9-20-14(2,3)4)19-10-12-7-5-6-8-13(12)15(16,17)18/h11-13,19-20H,5-10H2,1-4H3
InChIKeyLZVDDGRNOZZQKT-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.72
Rot. Bonds5

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

1-N-tert-butyl-2-N-[[2-(trifluoromethyl)cyclohexyl]methyl]propane-1,2-diamine (PubChem CID 104622103) has the molecular formula C15H29F3N2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-N-tert-butyl-2-N-[[2-(trifluoromethyl)cyclohexyl]methyl]propane-1,2-diamine.

Molecular Properties

Compound Name1-N-tert-butyl-2-N-[[2-(trifluoromethyl)cyclohexyl]methyl]propane-1,2-diamine
PubChem CID104622103
Molecular FormulaC15H29F3N2
Molecular Weight294.40 g/mol
Exact Mass294.23
IUPAC Name1-N-tert-butyl-2-N-[[2-(trifluoromethyl)cyclohexyl]methyl]propane-1,2-diamine
SMILESCC(CNC(C)(C)C)NCC1CCCCC1C(F)(F)F
InChIInChI=1S/C15H29F3N2/c1-11(9-20-14(2,3)4)19-10-12-7-5-6-8-13(12)15(16,17)18/h11-13,19-20H,5-10H2,1-4H3
InChIKeyLZVDDGRNOZZQKT-UHFFFAOYSA-N
XLogP3.72
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(2-methylpropyl)-2-N-[[2-(trifluoromethyl)cyclohexyl]methyl]propane-1,2-diamine
CID 104622104
[2-(trifluoromethyl)cyclohexyl]methylhydrazine
CID 104622067
(2R)-2-amino-N-[[2-(trifluoromethyl)cyclohexyl]methyl]propanamide
CID 119343054
2-methyl-N-[[2-(2-methylpropyl)cyclohexyl]methyl]propan-2-amine
CID 81024627
1-N-tert-butyl-2-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propane-1,2-diamine
CID 113407554
(2S)-1-ethyl-2-(trifluoromethyl)cyclohexane
CID 135256943
N-propyl-N'-[[2-(trifluoromethyl)cyclohexyl]methyl]ethane-1,2-diamine
CID 113433966
[(1R,2R)-2-(trifluoromethyl)cyclohexyl]methanamine;hydrochloride
CID 170912591
N',N'-dimethyl-N-[[2-(trifluoromethyl)cyclohexyl]methyl]ethane-1,2-diamine
CID 113433967
N-(2-methylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 43434483
cis-(1R,2R)-1-(bromomethyl)-2-(trifluoromethyl)cyclohexane
CID 170910314
N-tert-butyl-2-(cyclopentylmethyl)-3-methylbutan-1-amine
CID 63522044

Frequently Asked Questions

What is the IUPAC name of 1-N-tert-butyl-2-N-[[2-(trifluoromethyl)cyclohexyl]methyl]propane-1,2-diamine?
The IUPAC name of 1-N-tert-butyl-2-N-[[2-(trifluoromethyl)cyclohexyl]methyl]propane-1,2-diamine (CID 104622103) is 1-N-tert-butyl-2-N-[[2-(trifluoromethyl)cyclohexyl]methyl]propane-1,2-diamine.
What is the SMILES notation for 1-N-tert-butyl-2-N-[[2-(trifluoromethyl)cyclohexyl]methyl]propane-1,2-diamine?
The canonical SMILES for 1-N-tert-butyl-2-N-[[2-(trifluoromethyl)cyclohexyl]methyl]propane-1,2-diamine is CC(CNC(C)(C)C)NCC1CCCCC1C(F)(F)F.
What is the InChIKey of 1-N-tert-butyl-2-N-[[2-(trifluoromethyl)cyclohexyl]methyl]propane-1,2-diamine?
The InChIKey is LZVDDGRNOZZQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29F3N2/c1-11(9-20-14(2,3)4)19-10-12-7-5-6-8-13(12)15(16,17)18/h11-13,19-20H,5-10H2,1-4H3.
What are the key properties of 1-N-tert-butyl-2-N-[[2-(trifluoromethyl)cyclohexyl]methyl]propane-1,2-diamine?
1-N-tert-butyl-2-N-[[2-(trifluoromethyl)cyclohexyl]methyl]propane-1,2-diamine has a molecular weight of 294.40 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-tert-butyl-2-N-[[2-(trifluoromethyl)cyclohexyl]methyl]propane-1,2-diamine is sourced from PubChem (CID 104622103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).