N-(azepan-4-ylmethyl)-2,2-difluoro-N-methylethanamine

C10H20F2N2 — CID 84674392

IUPACN-(azepan-4-ylmethyl)-2,2-difluoro-N-methylethanamine
SMILESCN(CC(F)F)CC1CCCNCC1
InChIInChI=1S/C10H20F2N2/c1-14(8-10(11)12)7-9-3-2-5-13-6-4-9/h9-10,13H,2-8H2,1H3
InChIKeyGKXLNWBNPXQVEO-UHFFFAOYSA-N
MW206.28 g/mol
LogP1.57
Rot. Bonds4

About N-(azepan-4-ylmethyl)-2,2-difluoro-N-methylethanamine

N-(azepan-4-ylmethyl)-2,2-difluoro-N-methylethanamine (PubChem CID 84674392) has the molecular formula C10H20F2N2 and a molecular weight of 206.28 g/mol. Its IUPAC name is N-(azepan-4-ylmethyl)-2,2-difluoro-N-methylethanamine.

Molecular Properties

Compound NameN-(azepan-4-ylmethyl)-2,2-difluoro-N-methylethanamine
PubChem CID84674392
Molecular FormulaC10H20F2N2
Molecular Weight206.28 g/mol
Exact Mass206.16
IUPAC NameN-(azepan-4-ylmethyl)-2,2-difluoro-N-methylethanamine
SMILESCN(CC(F)F)CC1CCCNCC1
InChIInChI=1S/C10H20F2N2/c1-14(8-10(11)12)7-9-3-2-5-13-6-4-9/h9-10,13H,2-8H2,1H3
InChIKeyGKXLNWBNPXQVEO-UHFFFAOYSA-N
XLogP1.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclobutyl-N-methyl-N-(pyrrolidin-3-ylmethyl)methanamine
CID 62860068
2-methyl-3-[methyl(piperidin-4-ylmethyl)amino]propanamide
CID 79717263
N-ethyl-2,2-difluoro-N-(piperidin-3-ylmethyl)ethanamine
CID 106638969
1-methoxy-3-[methyl(piperidin-3-ylmethyl)amino]propan-2-ol
CID 80554421
1-cyclohexyl-N-methyl-N-(piperidin-3-ylmethyl)methanamine;hydrochloride
CID 119930005
N,2-dimethyl-N-(piperidin-3-ylmethyl)pentan-1-amine
CID 106623913
N,N-dimethyl-1-piperidin-4-ylmethanamine;dihydrochloride
CID 23153381
N-methyl-N-(piperidin-4-ylmethyl)thiohydroxylamine
CID 130458996
azane;N,N-dimethyl-1-piperidin-4-ylmethanamine
CID 175907731
1-[cyclobutylmethyl(methyl)amino]-3-piperazin-1-ylpropan-2-ol
CID 65448880
1-[cyclopentylmethyl(methyl)amino]butan-2-ol
CID 63631897
2,2-difluoro-N-methyl-N-(piperidin-4-ylmethyl)acetamide
CID 103514236

Frequently Asked Questions

What is the IUPAC name of N-(azepan-4-ylmethyl)-2,2-difluoro-N-methylethanamine?
The IUPAC name of N-(azepan-4-ylmethyl)-2,2-difluoro-N-methylethanamine (CID 84674392) is N-(azepan-4-ylmethyl)-2,2-difluoro-N-methylethanamine.
What is the SMILES notation for N-(azepan-4-ylmethyl)-2,2-difluoro-N-methylethanamine?
The canonical SMILES for N-(azepan-4-ylmethyl)-2,2-difluoro-N-methylethanamine is CN(CC(F)F)CC1CCCNCC1.
What is the InChIKey of N-(azepan-4-ylmethyl)-2,2-difluoro-N-methylethanamine?
The InChIKey is GKXLNWBNPXQVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2N2/c1-14(8-10(11)12)7-9-3-2-5-13-6-4-9/h9-10,13H,2-8H2,1H3.
What are the key properties of N-(azepan-4-ylmethyl)-2,2-difluoro-N-methylethanamine?
N-(azepan-4-ylmethyl)-2,2-difluoro-N-methylethanamine has a molecular weight of 206.28 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-4-ylmethyl)-2,2-difluoro-N-methylethanamine is sourced from PubChem (CID 84674392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).