N-[[1-(aminomethyl)-4-methylcyclohexyl]methyl]-1-(trifluoromethyl)cyclopropan-1-amine

C13H23F3N2 — CID 106219112

IUPACN-[[1-(aminomethyl)-4-methylcyclohexyl]methyl]-1-(trifluoromethyl)cyclopropan-1-amine
SMILESCC1CCC(CN)(CNC2(C(F)(F)F)CC2)CC1
InChIInChI=1S/C13H23F3N2/c1-10-2-4-11(8-17,5-3-10)9-18-12(6-7-12)13(14,15)16/h10,18H,2-9,17H2,1H3
InChIKeyAQAILKVQBNTQJO-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.83
Rot. Bonds4

About N-[[1-(aminomethyl)-4-methylcyclohexyl]methyl]-1-(trifluoromethyl)cyclopropan-1-amine

N-[[1-(aminomethyl)-4-methylcyclohexyl]methyl]-1-(trifluoromethyl)cyclopropan-1-amine (PubChem CID 106219112) has the molecular formula C13H23F3N2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[[1-(aminomethyl)-4-methylcyclohexyl]methyl]-1-(trifluoromethyl)cyclopropan-1-amine.

Molecular Properties

Compound NameN-[[1-(aminomethyl)-4-methylcyclohexyl]methyl]-1-(trifluoromethyl)cyclopropan-1-amine
PubChem CID106219112
Molecular FormulaC13H23F3N2
Molecular Weight264.33 g/mol
Exact Mass264.18
IUPAC NameN-[[1-(aminomethyl)-4-methylcyclohexyl]methyl]-1-(trifluoromethyl)cyclopropan-1-amine
SMILESCC1CCC(CN)(CNC2(C(F)(F)F)CC2)CC1
InChIInChI=1S/C13H23F3N2/c1-10-2-4-11(8-17,5-3-10)9-18-12(6-7-12)13(14,15)16/h10,18H,2-9,17H2,1H3
InChIKeyAQAILKVQBNTQJO-UHFFFAOYSA-N
XLogP2.83
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[4-methyl-1-(methylaminomethyl)cyclohexyl]methanamine
CID 115442703
N-[[1-(aminomethyl)-4-methylcyclohexyl]methyl]cyclobutanamine
CID 115442724
N-[[1-(aminomethyl)-4-methylcyclohexyl]methyl]-3-methylcyclopentan-1-amine
CID 114547350
[1-(3,3-dimethylbutyl)-4-methylcyclohexyl]methanamine
CID 65392807
1-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]cyclopentan-1-amine
CID 106219187
[1-[(2,6-dimethylpiperidin-1-yl)methyl]-4-methylcyclohexyl]methanamine
CID 113310568
(4-methyl-1-prop-2-ynylcyclohexyl)methanamine
CID 126977400
[3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methanamine
CID 116627826
[(1S)-1-ethyl-3-methylcyclopentyl]methanamine
CID 142068635
4-tert-butyl-N-ethyl-1-(trifluoromethyl)cyclohexan-1-amine
CID 66207204
1-(aminomethyl)-4-methylcyclohexan-1-amine
CID 43519520
1-(aminomethyl)-4-methyl-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide
CID 113310520

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)-4-methylcyclohexyl]methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The IUPAC name of N-[[1-(aminomethyl)-4-methylcyclohexyl]methyl]-1-(trifluoromethyl)cyclopropan-1-amine (CID 106219112) is N-[[1-(aminomethyl)-4-methylcyclohexyl]methyl]-1-(trifluoromethyl)cyclopropan-1-amine.
What is the SMILES notation for N-[[1-(aminomethyl)-4-methylcyclohexyl]methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The canonical SMILES for N-[[1-(aminomethyl)-4-methylcyclohexyl]methyl]-1-(trifluoromethyl)cyclopropan-1-amine is CC1CCC(CN)(CNC2(C(F)(F)F)CC2)CC1.
What is the InChIKey of N-[[1-(aminomethyl)-4-methylcyclohexyl]methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The InChIKey is AQAILKVQBNTQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2/c1-10-2-4-11(8-17,5-3-10)9-18-12(6-7-12)13(14,15)16/h10,18H,2-9,17H2,1H3.
What are the key properties of N-[[1-(aminomethyl)-4-methylcyclohexyl]methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
N-[[1-(aminomethyl)-4-methylcyclohexyl]methyl]-1-(trifluoromethyl)cyclopropan-1-amine has a molecular weight of 264.33 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)-4-methylcyclohexyl]methyl]-1-(trifluoromethyl)cyclopropan-1-amine is sourced from PubChem (CID 106219112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).