1-(aminomethyl)-N,N-bis(2-methoxyethyl)-3-(trifluoromethyl)cyclohexan-1-amine

C14H27F3N2O2 — CID 64757407

IUPAC1-(aminomethyl)-N,N-bis(2-methoxyethyl)-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCOCCN(CCOC)C1(CN)CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H27F3N2O2/c1-20-8-6-19(7-9-21-2)13(11-18)5-3-4-12(10-13)14(15,16)17/h12H,3-11,18H2,1-2H3
InChIKeyMZLLTWOZSNNKBX-UHFFFAOYSA-N
MW312.38 g/mol
LogP2.03
Rot. Bonds8

About 1-(aminomethyl)-N,N-bis(2-methoxyethyl)-3-(trifluoromethyl)cyclohexan-1-amine

1-(aminomethyl)-N,N-bis(2-methoxyethyl)-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64757407) has the molecular formula C14H27F3N2O2 and a molecular weight of 312.38 g/mol. Its IUPAC name is 1-(aminomethyl)-N,N-bis(2-methoxyethyl)-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N,N-bis(2-methoxyethyl)-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64757407
Molecular FormulaC14H27F3N2O2
Molecular Weight312.38 g/mol
Exact Mass312.20
IUPAC Name1-(aminomethyl)-N,N-bis(2-methoxyethyl)-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCOCCN(CCOC)C1(CN)CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H27F3N2O2/c1-20-8-6-19(7-9-21-2)13(11-18)5-3-4-12(10-13)14(15,16)17/h12H,3-11,18H2,1-2H3
InChIKeyMZLLTWOZSNNKBX-UHFFFAOYSA-N
XLogP2.03
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N,N-bis(2-methoxyethyl)-3-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N,N-bis(2-methoxyethyl)-3-(trifluoromethyl)cyclohexan-1-amine (CID 64757407) is 1-(aminomethyl)-N,N-bis(2-methoxyethyl)-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N,N-bis(2-methoxyethyl)-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N,N-bis(2-methoxyethyl)-3-(trifluoromethyl)cyclohexan-1-amine is COCCN(CCOC)C1(CN)CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-(aminomethyl)-N,N-bis(2-methoxyethyl)-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is MZLLTWOZSNNKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2O2/c1-20-8-6-19(7-9-21-2)13(11-18)5-3-4-12(10-13)14(15,16)17/h12H,3-11,18H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N,N-bis(2-methoxyethyl)-3-(trifluoromethyl)cyclohexan-1-amine?
1-(aminomethyl)-N,N-bis(2-methoxyethyl)-3-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 312.38 g/mol, XLogP of 2.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N,N-bis(2-methoxyethyl)-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64757407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).