2-[(2-ethylazepan-1-yl)methyl]-3,3,3-trifluoropropan-1-amine

C12H23F3N2 — CID 103366456

IUPAC2-[(2-ethylazepan-1-yl)methyl]-3,3,3-trifluoropropan-1-amine
SMILESCCC1CCCCCN1CC(CN)C(F)(F)F
InChIInChI=1S/C12H23F3N2/c1-2-11-6-4-3-5-7-17(11)9-10(8-16)12(13,14)15/h10-11H,2-9,16H2,1H3
InChIKeyMYCKYWSRTPOIFK-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.78
Rot. Bonds4

About 2-[(2-ethylazepan-1-yl)methyl]-3,3,3-trifluoropropan-1-amine

2-[(2-ethylazepan-1-yl)methyl]-3,3,3-trifluoropropan-1-amine (PubChem CID 103366456) has the molecular formula C12H23F3N2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-[(2-ethylazepan-1-yl)methyl]-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name2-[(2-ethylazepan-1-yl)methyl]-3,3,3-trifluoropropan-1-amine
PubChem CID103366456
Molecular FormulaC12H23F3N2
Molecular Weight252.32 g/mol
Exact Mass252.18
IUPAC Name2-[(2-ethylazepan-1-yl)methyl]-3,3,3-trifluoropropan-1-amine
SMILESCCC1CCCCCN1CC(CN)C(F)(F)F
InChIInChI=1S/C12H23F3N2/c1-2-11-6-4-3-5-7-17(11)9-10(8-16)12(13,14)15/h10-11H,2-9,16H2,1H3
InChIKeyMYCKYWSRTPOIFK-UHFFFAOYSA-N
XLogP2.78
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-3-(2-ethylazepan-1-yl)propan-1-amine
CID 104689096
1-[2-(bromomethyl)-3,3-dimethylbutyl]-2-ethylpiperidine
CID 65015932
1-cyclohexyl-2-(2-ethylpiperidin-1-yl)ethanamine
CID 113448010
2-[2-(2-ethylazepan-1-yl)ethyl]-4-methylpentan-1-amine
CID 113441769
1-chloro-3-(2-ethylazepan-1-yl)propan-2-ol
CID 104691333
3,3,3-trifluoro-2-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]propan-1-amine
CID 103366403
1-(2-ethylpyrrolidin-1-yl)-4-methylpentan-2-amine
CID 60973405
3-(2-ethylazepan-1-yl)-2-methylpropanimidamide
CID 104690087
3-(2-ethylazepan-1-yl)propan-1-amine
CID 112545599
3-(2-ethylazepan-1-yl)-2-methylpropanal
CID 112545832
2-ethyl-2-[(2-ethylazepan-1-yl)methyl]butan-1-amine
CID 104690375
3-(2-ethylazepan-1-yl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 104692283

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylazepan-1-yl)methyl]-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 2-[(2-ethylazepan-1-yl)methyl]-3,3,3-trifluoropropan-1-amine (CID 103366456) is 2-[(2-ethylazepan-1-yl)methyl]-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 2-[(2-ethylazepan-1-yl)methyl]-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 2-[(2-ethylazepan-1-yl)methyl]-3,3,3-trifluoropropan-1-amine is CCC1CCCCCN1CC(CN)C(F)(F)F.
What is the InChIKey of 2-[(2-ethylazepan-1-yl)methyl]-3,3,3-trifluoropropan-1-amine?
The InChIKey is MYCKYWSRTPOIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2/c1-2-11-6-4-3-5-7-17(11)9-10(8-16)12(13,14)15/h10-11H,2-9,16H2,1H3.
What are the key properties of 2-[(2-ethylazepan-1-yl)methyl]-3,3,3-trifluoropropan-1-amine?
2-[(2-ethylazepan-1-yl)methyl]-3,3,3-trifluoropropan-1-amine has a molecular weight of 252.32 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylazepan-1-yl)methyl]-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 103366456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).