N-methyl-N-[3-(trifluoromethyl)cyclohexyl]azepan-4-amine

C14H25F3N2 — CID 107171989

IUPACN-methyl-N-[3-(trifluoromethyl)cyclohexyl]azepan-4-amine
SMILESCN(C1CCCNCC1)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H25F3N2/c1-19(12-6-3-8-18-9-7-12)13-5-2-4-11(10-13)14(15,16)17/h11-13,18H,2-10H2,1H3
InChIKeyCWHIZLYHRAIOHF-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.18
Rot. Bonds2

About N-methyl-N-[3-(trifluoromethyl)cyclohexyl]azepan-4-amine

N-methyl-N-[3-(trifluoromethyl)cyclohexyl]azepan-4-amine (PubChem CID 107171989) has the molecular formula C14H25F3N2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-methyl-N-[3-(trifluoromethyl)cyclohexyl]azepan-4-amine.

Molecular Properties

Compound NameN-methyl-N-[3-(trifluoromethyl)cyclohexyl]azepan-4-amine
PubChem CID107171989
Molecular FormulaC14H25F3N2
Molecular Weight278.36 g/mol
Exact Mass278.20
IUPAC NameN-methyl-N-[3-(trifluoromethyl)cyclohexyl]azepan-4-amine
SMILESCN(C1CCCNCC1)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H25F3N2/c1-19(12-6-3-8-18-9-7-12)13-5-2-4-11(10-13)14(15,16)17/h11-13,18H,2-10H2,1H3
InChIKeyCWHIZLYHRAIOHF-UHFFFAOYSA-N
XLogP3.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,4-N-dimethyl-4-N-[3-(trifluoromethyl)cyclohexyl]cyclohexane-1,4-diamine
CID 79110275
N-methyl-N-(3-methylcyclobutyl)azepan-4-amine
CID 107172184
N-(3-ethylcyclohexyl)-N-methylazepan-4-amine
CID 107172001
N-methyl-N-(3-propan-2-ylcyclobutyl)azepan-4-amine
CID 107172008
N-methyl-N-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64757824
N-(1,1-dioxothian-4-yl)-N-methylazepan-4-amine
CID 107172212
N-cyclopropyl-N-methylpiperidin-4-amine;dihydrochloride
CID 53408558
N-(azepan-4-yl)-2,2,3,3-tetrafluoro-N-methylpropanamide
CID 104974731
N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylazepan-4-amine
CID 107171962
N-cyclopropyl-N-methylpiperidin-3-amine;hydrochloride
CID 118797312
N-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]azepan-4-amine
CID 107173387
2-piperidin-4-yloxy-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 63876030

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-(trifluoromethyl)cyclohexyl]azepan-4-amine?
The IUPAC name of N-methyl-N-[3-(trifluoromethyl)cyclohexyl]azepan-4-amine (CID 107171989) is N-methyl-N-[3-(trifluoromethyl)cyclohexyl]azepan-4-amine.
What is the SMILES notation for N-methyl-N-[3-(trifluoromethyl)cyclohexyl]azepan-4-amine?
The canonical SMILES for N-methyl-N-[3-(trifluoromethyl)cyclohexyl]azepan-4-amine is CN(C1CCCNCC1)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-methyl-N-[3-(trifluoromethyl)cyclohexyl]azepan-4-amine?
The InChIKey is CWHIZLYHRAIOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2/c1-19(12-6-3-8-18-9-7-12)13-5-2-4-11(10-13)14(15,16)17/h11-13,18H,2-10H2,1H3.
What are the key properties of N-methyl-N-[3-(trifluoromethyl)cyclohexyl]azepan-4-amine?
N-methyl-N-[3-(trifluoromethyl)cyclohexyl]azepan-4-amine has a molecular weight of 278.36 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-(trifluoromethyl)cyclohexyl]azepan-4-amine is sourced from PubChem (CID 107171989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).