1-(aminomethyl)-N-butan-2-yl-N-(2-methoxyethyl)-3-(trifluoromethyl)cyclohexan-1-amine

C15H29F3N2O — CID 64757009

IUPAC1-(aminomethyl)-N-butan-2-yl-N-(2-methoxyethyl)-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCCC(C)N(CCOC)C1(CN)CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H29F3N2O/c1-4-12(2)20(8-9-21-3)14(11-19)7-5-6-13(10-14)15(16,17)18/h12-13H,4-11,19H2,1-3H3
InChIKeyCVHLGDXDVLVOQC-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.18
Rot. Bonds7

About 1-(aminomethyl)-N-butan-2-yl-N-(2-methoxyethyl)-3-(trifluoromethyl)cyclohexan-1-amine

1-(aminomethyl)-N-butan-2-yl-N-(2-methoxyethyl)-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64757009) has the molecular formula C15H29F3N2O and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-(aminomethyl)-N-butan-2-yl-N-(2-methoxyethyl)-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-butan-2-yl-N-(2-methoxyethyl)-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64757009
Molecular FormulaC15H29F3N2O
Molecular Weight310.40 g/mol
Exact Mass310.22
IUPAC Name1-(aminomethyl)-N-butan-2-yl-N-(2-methoxyethyl)-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCCC(C)N(CCOC)C1(CN)CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H29F3N2O/c1-4-12(2)20(8-9-21-3)14(11-19)7-5-6-13(10-14)15(16,17)18/h12-13H,4-11,19H2,1-3H3
InChIKeyCVHLGDXDVLVOQC-UHFFFAOYSA-N
XLogP3.18
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(aminomethyl)-N-butan-2-yl-N-(2-methoxyethyl)-3-(trifluoromethyl)cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(aminomethyl)-N-butan-2-yl-N-(2-methoxyethyl)-4-propylcycloheptan-1-amine
CID 65088706
8-(aminomethyl)-N-butan-2-yl-N-(2-methoxyethyl)spiro[4.5]decan-8-amine
CID 114818099
1-(aminomethyl)-N-(2-methoxyethyl)-N,3-di(propan-2-yl)cyclohexan-1-amine
CID 107449206
1-(aminomethyl)-N-ethyl-N-propyl-3-(trifluoromethyl)cyclohexan-1-amine
CID 64758212
1-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-3-propan-2-ylcyclohexan-1-amine
CID 107449048
1-(aminomethyl)-N-cyclohexyl-N-ethyl-3-(trifluoromethyl)cyclohexan-1-amine
CID 64760026
1-(aminomethyl)-N-(cyclopropylmethyl)-N-propyl-3-(trifluoromethyl)cyclohexan-1-amine
CID 64759040
1-(aminomethyl)-N-butyl-N-cyclopropyl-3-(trifluoromethyl)cyclohexan-1-amine
CID 64759242
1-(aminomethyl)-N-(1-cyclopropylethyl)-4-ethyl-N-(2-methoxyethyl)cycloheptan-1-amine
CID 65088127
1-(aminomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-3-propan-2-ylcyclohexan-1-amine
CID 107449052
3-(aminomethyl)-N-butan-2-yl-N-(2-methoxyethyl)-5,5-dimethylthian-3-amine
CID 79958837
1-(aminomethyl)-N-methyl-N-(3-methylcyclohexyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64759244

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-butan-2-yl-N-(2-methoxyethyl)-3-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-butan-2-yl-N-(2-methoxyethyl)-3-(trifluoromethyl)cyclohexan-1-amine (CID 64757009) is 1-(aminomethyl)-N-butan-2-yl-N-(2-methoxyethyl)-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-butan-2-yl-N-(2-methoxyethyl)-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-butan-2-yl-N-(2-methoxyethyl)-3-(trifluoromethyl)cyclohexan-1-amine is CCC(C)N(CCOC)C1(CN)CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-(aminomethyl)-N-butan-2-yl-N-(2-methoxyethyl)-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is CVHLGDXDVLVOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29F3N2O/c1-4-12(2)20(8-9-21-3)14(11-19)7-5-6-13(10-14)15(16,17)18/h12-13H,4-11,19H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N-butan-2-yl-N-(2-methoxyethyl)-3-(trifluoromethyl)cyclohexan-1-amine?
1-(aminomethyl)-N-butan-2-yl-N-(2-methoxyethyl)-3-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 310.40 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-butan-2-yl-N-(2-methoxyethyl)-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64757009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).