1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine

C14H27F3N2S — CID 115985663

IUPAC1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCCC(CSC)N(C)C1(CN)CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H27F3N2S/c1-4-12(9-20-3)19(2)13(10-18)7-5-11(6-8-13)14(15,16)17/h11-12H,4-10,18H2,1-3H3
InChIKeyVLHWHTFYLFDWHN-UHFFFAOYSA-N
MW312.45 g/mol
LogP3.51
Rot. Bonds6

About 1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine

1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 115985663) has the molecular formula C14H27F3N2S and a molecular weight of 312.45 g/mol. Its IUPAC name is 1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID115985663
Molecular FormulaC14H27F3N2S
Molecular Weight312.45 g/mol
Exact Mass312.18
IUPAC Name1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCCC(CSC)N(C)C1(CN)CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H27F3N2S/c1-4-12(9-20-3)19(2)13(10-18)7-5-11(6-8-13)14(15,16)17/h11-12H,4-10,18H2,1-3H3
InChIKeyVLHWHTFYLFDWHN-UHFFFAOYSA-N
XLogP3.51
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-4-propan-2-ylcycloheptan-1-amine
CID 115985690
4-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)oxan-4-amine
CID 112658408
4-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-1,1-dioxothian-4-amine
CID 112658472
1-(aminomethyl)-N,4-dimethyl-N-pentan-3-ylcyclohexan-1-amine
CID 43570878
1-(aminomethyl)-N-cyclopentyl-N-ethyl-4-(trifluoromethyl)cyclohexan-1-amine
CID 64754085
1-(aminomethyl)-N-cyclopropyl-N-propyl-4-(trifluoromethyl)cyclohexan-1-amine
CID 64753685
1-(aminomethyl)-N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)cyclohexan-1-amine
CID 112658341
1-(aminomethyl)-N-(cyclohexylmethyl)-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine
CID 64755111
1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-propan-2-ylcyclohexan-1-amine
CID 112658500
1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-methylsulfonylcyclopentan-1-amine
CID 112658395
3-(aminomethyl)-N,2,2,5,5-pentamethyl-N-(1-methylsulfanylbutan-2-yl)oxolan-3-amine
CID 112658428
1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64755328

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine (CID 115985663) is 1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine is CCC(CSC)N(C)C1(CN)CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is VLHWHTFYLFDWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2S/c1-4-12(9-20-3)19(2)13(10-18)7-5-11(6-8-13)14(15,16)17/h11-12H,4-10,18H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 312.45 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 115985663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).