1-propyl-4-(trifluoromethyl)azepan-4-amine

C10H19F3N2 — CID 65077239

IUPAC1-propyl-4-(trifluoromethyl)azepan-4-amine
SMILESCCCN1CCCC(N)(C(F)(F)F)CC1
InChIInChI=1S/C10H19F3N2/c1-2-6-15-7-3-4-9(14,5-8-15)10(11,12)13/h2-8,14H2,1H3
InChIKeyNFVQWAZKERDOMN-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.14
Rot. Bonds2

About 1-propyl-4-(trifluoromethyl)azepan-4-amine

1-propyl-4-(trifluoromethyl)azepan-4-amine (PubChem CID 65077239) has the molecular formula C10H19F3N2 and a molecular weight of 224.27 g/mol. Its IUPAC name is 1-propyl-4-(trifluoromethyl)azepan-4-amine.

Molecular Properties

Compound Name1-propyl-4-(trifluoromethyl)azepan-4-amine
PubChem CID65077239
Molecular FormulaC10H19F3N2
Molecular Weight224.27 g/mol
Exact Mass224.15
IUPAC Name1-propyl-4-(trifluoromethyl)azepan-4-amine
SMILESCCCN1CCCC(N)(C(F)(F)F)CC1
InChIInChI=1S/C10H19F3N2/c1-2-6-15-7-3-4-9(14,5-8-15)10(11,12)13/h2-8,14H2,1H3
InChIKeyNFVQWAZKERDOMN-UHFFFAOYSA-N
XLogP2.14
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(Azepan-1-yl)-2-methylbutan-2-amine
CID 64678326
3-methyl-1-N,1-N-bis(2,2,2-trifluoroethyl)hexane-1,3-diamine
CID 135137290
3-methyl-1-N,1-N-bis(2,2,2-trifluoroethyl)heptane-1,3-diamine
CID 135200973
4-Fluoro-4-(fluoromethyl)-1-(2-methylbutan-2-yl)azepane
CID 135255518
(4R)-1-tert-butyl-4-(2,2-difluoroethyl)azepan-4-amine
CID 155184112
(4R)-4-(2,2-difluoroethyl)-1-methylazepan-4-amine
CID 155204122
(4R)-4-(2,2-difluoroethyl)-1-propan-2-ylazepan-4-amine
CID 156483012
(4R)-4-(2,2-difluoroethyl)-1-hexan-2-ylazepan-4-amine
CID 156483013
1-(2,2-Difluoroethyl)-5-methylazepan-4-amine
CID 169135404
(4R)-4-(2,2-difluoroethyl)-1-pentan-2-ylazepan-4-amine
CID 170022719
1,1,1-Trifluoro-2-(4-methylazepan-1-yl)pentan-3-amine
CID 55249784
4,4,4-Trifluoro-3-(4-methylazepan-1-yl)butan-1-amine
CID 63622757

Frequently Asked Questions

What is the IUPAC name of 1-propyl-4-(trifluoromethyl)azepan-4-amine?
The IUPAC name of 1-propyl-4-(trifluoromethyl)azepan-4-amine (CID 65077239) is 1-propyl-4-(trifluoromethyl)azepan-4-amine.
What is the SMILES notation for 1-propyl-4-(trifluoromethyl)azepan-4-amine?
The canonical SMILES for 1-propyl-4-(trifluoromethyl)azepan-4-amine is CCCN1CCCC(N)(C(F)(F)F)CC1.
What is the InChIKey of 1-propyl-4-(trifluoromethyl)azepan-4-amine?
The InChIKey is NFVQWAZKERDOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2/c1-2-6-15-7-3-4-9(14,5-8-15)10(11,12)13/h2-8,14H2,1H3.
What are the key properties of 1-propyl-4-(trifluoromethyl)azepan-4-amine?
1-propyl-4-(trifluoromethyl)azepan-4-amine has a molecular weight of 224.27 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-4-(trifluoromethyl)azepan-4-amine is sourced from PubChem (CID 65077239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).