N-(azepan-2-ylmethyl)-2,2,2-trifluoro-N-methylethanamine

C10H19F3N2 — CID 64570764

IUPACN-(azepan-2-ylmethyl)-2,2,2-trifluoro-N-methylethanamine
SMILESCN(CC1CCCCCN1)CC(F)(F)F
InChIInChI=1S/C10H19F3N2/c1-15(8-10(11,12)13)7-9-5-3-2-4-6-14-9/h9,14H,2-8H2,1H3
InChIKeyKSVDQGFTPFGWFM-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.01
Rot. Bonds3

About N-(azepan-2-ylmethyl)-2,2,2-trifluoro-N-methylethanamine

N-(azepan-2-ylmethyl)-2,2,2-trifluoro-N-methylethanamine (PubChem CID 64570764) has the molecular formula C10H19F3N2 and a molecular weight of 224.27 g/mol. Its IUPAC name is N-(azepan-2-ylmethyl)-2,2,2-trifluoro-N-methylethanamine.

Molecular Properties

Compound NameN-(azepan-2-ylmethyl)-2,2,2-trifluoro-N-methylethanamine
PubChem CID64570764
Molecular FormulaC10H19F3N2
Molecular Weight224.27 g/mol
Exact Mass224.15
IUPAC NameN-(azepan-2-ylmethyl)-2,2,2-trifluoro-N-methylethanamine
SMILESCN(CC1CCCCCN1)CC(F)(F)F
InChIInChI=1S/C10H19F3N2/c1-15(8-10(11,12)13)7-9-5-3-2-4-6-14-9/h9,14H,2-8H2,1H3
InChIKeyKSVDQGFTPFGWFM-UHFFFAOYSA-N
XLogP2.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 106613835
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CID 45075192
N-[[(2S)-pyrrolidin-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 102819434
1-cyclopentyl-N-methyl-N-(pyrrolidin-2-ylmethyl)methanamine
CID 63631590
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1-(azocan-2-yl)-N-methyl-N-(oxolan-2-ylmethyl)methanamine
CID 114240339
2-methyl-N,N-bis(piperidin-2-ylmethyl)propan-2-amine
CID 5252100
N-(azepan-2-ylmethyl)-N-ethylethanamine
CID 4715268
N-methyl-N-[(3-methylsulfanylpyrazin-2-yl)methyl]-1-piperidin-2-ylmethanamine;hydrochloride
CID 71643384
N-methyl-1-(oxan-4-yl)-N-[[(2R)-piperidin-2-yl]methyl]methanamine
CID 86323616
3-[methyl(piperidin-2-ylmethyl)amino]propanoic acid
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CID 97170855

Frequently Asked Questions

What is the IUPAC name of N-(azepan-2-ylmethyl)-2,2,2-trifluoro-N-methylethanamine?
The IUPAC name of N-(azepan-2-ylmethyl)-2,2,2-trifluoro-N-methylethanamine (CID 64570764) is N-(azepan-2-ylmethyl)-2,2,2-trifluoro-N-methylethanamine.
What is the SMILES notation for N-(azepan-2-ylmethyl)-2,2,2-trifluoro-N-methylethanamine?
The canonical SMILES for N-(azepan-2-ylmethyl)-2,2,2-trifluoro-N-methylethanamine is CN(CC1CCCCCN1)CC(F)(F)F.
What is the InChIKey of N-(azepan-2-ylmethyl)-2,2,2-trifluoro-N-methylethanamine?
The InChIKey is KSVDQGFTPFGWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2/c1-15(8-10(11,12)13)7-9-5-3-2-4-6-14-9/h9,14H,2-8H2,1H3.
What are the key properties of N-(azepan-2-ylmethyl)-2,2,2-trifluoro-N-methylethanamine?
N-(azepan-2-ylmethyl)-2,2,2-trifluoro-N-methylethanamine has a molecular weight of 224.27 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-2-ylmethyl)-2,2,2-trifluoro-N-methylethanamine is sourced from PubChem (CID 64570764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).