2-N-ethyl-6,6,6-trifluoro-2-methyl-2-N-(oxolan-2-ylmethyl)hexane-1,2-diamine

C14H27F3N2O — CID 116535200

IUPAC2-N-ethyl-6,6,6-trifluoro-2-methyl-2-N-(oxolan-2-ylmethyl)hexane-1,2-diamine
SMILESCCN(CC1CCCO1)C(C)(CN)CCCC(F)(F)F
InChIInChI=1S/C14H27F3N2O/c1-3-19(10-12-6-4-9-20-12)13(2,11-18)7-5-8-14(15,16)17/h12H,3-11,18H2,1-2H3
InChIKeyCBUVOHYZXHLWCZ-UHFFFAOYSA-N
MW296.38 g/mol
LogP2.94
Rot. Bonds8

About 2-N-ethyl-6,6,6-trifluoro-2-methyl-2-N-(oxolan-2-ylmethyl)hexane-1,2-diamine

2-N-ethyl-6,6,6-trifluoro-2-methyl-2-N-(oxolan-2-ylmethyl)hexane-1,2-diamine (PubChem CID 116535200) has the molecular formula C14H27F3N2O and a molecular weight of 296.38 g/mol. Its IUPAC name is 2-N-ethyl-6,6,6-trifluoro-2-methyl-2-N-(oxolan-2-ylmethyl)hexane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-6,6,6-trifluoro-2-methyl-2-N-(oxolan-2-ylmethyl)hexane-1,2-diamine
PubChem CID116535200
Molecular FormulaC14H27F3N2O
Molecular Weight296.38 g/mol
Exact Mass296.21
IUPAC Name2-N-ethyl-6,6,6-trifluoro-2-methyl-2-N-(oxolan-2-ylmethyl)hexane-1,2-diamine
SMILESCCN(CC1CCCO1)C(C)(CN)CCCC(F)(F)F
InChIInChI=1S/C14H27F3N2O/c1-3-19(10-12-6-4-9-20-12)13(2,11-18)7-5-8-14(15,16)17/h12H,3-11,18H2,1-2H3
InChIKeyCBUVOHYZXHLWCZ-UHFFFAOYSA-N
XLogP2.94
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-N-ethyl-6,6,6-trifluoro-2-methyl-2-N-(oxolan-2-ylmethyl)hexane-1,2-diamine with MolForge

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Related Compounds

N',2,2-trimethyl-N'-(oxolan-2-ylmethyl)butane-1,4-diamine
CID 65246933
2-N,2-dimethyl-2-N-[2-(oxolan-2-yl)ethyl]butane-1,2-diamine
CID 65158469
N',2,2-trimethyl-N'-(oxolan-2-ylmethyl)hexane-1,6-diamine
CID 106707977
2,2-dimethyl-3-[(2S)-oxolan-2-yl]propan-1-amine
CID 94565548
5-[ethyl(oxolan-2-ylmethyl)amino]-2,2-dimethylpentanethioamide
CID 65260037
1-amino-2-methyl-5-(oxolan-2-yl)pentan-2-ol
CID 66037682
4-amino-N-ethyl-N-(oxolan-2-ylmethyl)butane-1-sulfonamide
CID 54951943
2,2-dimethyl-3-(oxolan-2-yl)propan-1-amine;hydrochloride
CID 122240151
3-ethyl-6-(oxolan-2-yl)hexan-3-amine
CID 65166782
6,6,6-trifluoro-1-(oxolan-2-yl)hexan-2-amine
CID 115516320
N-(oxolan-2-ylmethyl)-N-propan-2-ylpropan-2-amine
CID 22975536
3-(aminomethyl)-6-[methyl(oxolan-2-ylmethyl)amino]hexan-3-ol
CID 106811255

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-6,6,6-trifluoro-2-methyl-2-N-(oxolan-2-ylmethyl)hexane-1,2-diamine?
The IUPAC name of 2-N-ethyl-6,6,6-trifluoro-2-methyl-2-N-(oxolan-2-ylmethyl)hexane-1,2-diamine (CID 116535200) is 2-N-ethyl-6,6,6-trifluoro-2-methyl-2-N-(oxolan-2-ylmethyl)hexane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-6,6,6-trifluoro-2-methyl-2-N-(oxolan-2-ylmethyl)hexane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-6,6,6-trifluoro-2-methyl-2-N-(oxolan-2-ylmethyl)hexane-1,2-diamine is CCN(CC1CCCO1)C(C)(CN)CCCC(F)(F)F.
What is the InChIKey of 2-N-ethyl-6,6,6-trifluoro-2-methyl-2-N-(oxolan-2-ylmethyl)hexane-1,2-diamine?
The InChIKey is CBUVOHYZXHLWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2O/c1-3-19(10-12-6-4-9-20-12)13(2,11-18)7-5-8-14(15,16)17/h12H,3-11,18H2,1-2H3.
What are the key properties of 2-N-ethyl-6,6,6-trifluoro-2-methyl-2-N-(oxolan-2-ylmethyl)hexane-1,2-diamine?
2-N-ethyl-6,6,6-trifluoro-2-methyl-2-N-(oxolan-2-ylmethyl)hexane-1,2-diamine has a molecular weight of 296.38 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-6,6,6-trifluoro-2-methyl-2-N-(oxolan-2-ylmethyl)hexane-1,2-diamine is sourced from PubChem (CID 116535200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).