1-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine

C14H25F3N2O — CID 114466438

IUPAC1-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESC=C(C)COCCNC1(CN)CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H25F3N2O/c1-11(2)9-20-8-7-19-13(10-18)5-3-12(4-6-13)14(15,16)17/h12,19H,1,3-10,18H2,2H3
InChIKeyLCPJHKJSDMXQDP-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.62
Rot. Bonds7

About 1-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine

1-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 114466438) has the molecular formula C14H25F3N2O and a molecular weight of 294.36 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID114466438
Molecular FormulaC14H25F3N2O
Molecular Weight294.36 g/mol
Exact Mass294.19
IUPAC Name1-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESC=C(C)COCCNC1(CN)CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H25F3N2O/c1-11(2)9-20-8-7-19-13(10-18)5-3-12(4-6-13)14(15,16)17/h12,19H,1,3-10,18H2,2H3
InChIKeyLCPJHKJSDMXQDP-UHFFFAOYSA-N
XLogP2.62
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(aminomethyl)-N-(2-methoxyethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64755494
N-[2-(2-methylprop-2-enoxy)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 113460016
N-[2-(2-methylprop-2-enoxy)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 113589159
N-[2-(2-methylprop-2-enoxy)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 113589200
1-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 114466306
6,6,6-trifluoro-2-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]hexane-1,2-diamine
CID 114466706
1-(aminomethyl)-4-ethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexan-1-amine
CID 113589217
1-(aminomethyl)-3-ethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexan-1-amine
CID 113589221
2-ethyl-4-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]hexane-1,2-diamine
CID 113589228
1-(aminomethyl)-2-ethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexan-1-amine
CID 113589232
1-(aminomethyl)-3,5-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexan-1-amine
CID 113589263
1-cyclohexyl-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine
CID 113589271

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine (CID 114466438) is 1-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine is C=C(C)COCCNC1(CN)CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is LCPJHKJSDMXQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O/c1-11(2)9-20-8-7-19-13(10-18)5-3-12(4-6-13)14(15,16)17/h12,19H,1,3-10,18H2,2H3.
What are the key properties of 1-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine?
1-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 294.36 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 114466438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).