1-(aminomethyl)-3-methyl-N-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine

C15H29F3N2O — CID 62005077

IUPAC1-(aminomethyl)-3-methyl-N-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
SMILESCCCN(CCOCC(F)(F)F)C1(CN)CCCC(C)C1
InChIInChI=1S/C15H29F3N2O/c1-3-7-20(8-9-21-12-15(16,17)18)14(11-19)6-4-5-13(2)10-14/h13H,3-12,19H2,1-2H3
InChIKeySRJWVFAAZGQIIG-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.18
Rot. Bonds8

About 1-(aminomethyl)-3-methyl-N-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine

1-(aminomethyl)-3-methyl-N-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine (PubChem CID 62005077) has the molecular formula C15H29F3N2O and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-(aminomethyl)-3-methyl-N-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-3-methyl-N-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
PubChem CID62005077
Molecular FormulaC15H29F3N2O
Molecular Weight310.40 g/mol
Exact Mass310.22
IUPAC Name1-(aminomethyl)-3-methyl-N-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
SMILESCCCN(CCOCC(F)(F)F)C1(CN)CCCC(C)C1
InChIInChI=1S/C15H29F3N2O/c1-3-7-20(8-9-21-12-15(16,17)18)14(11-19)6-4-5-13(2)10-14/h13H,3-12,19H2,1-2H3
InChIKeySRJWVFAAZGQIIG-UHFFFAOYSA-N
XLogP3.18
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-3-methyl-N-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-3-methyl-N-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine (CID 62005077) is 1-(aminomethyl)-3-methyl-N-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-3-methyl-N-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-3-methyl-N-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine is CCCN(CCOCC(F)(F)F)C1(CN)CCCC(C)C1.
What is the InChIKey of 1-(aminomethyl)-3-methyl-N-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine?
The InChIKey is SRJWVFAAZGQIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29F3N2O/c1-3-7-20(8-9-21-12-15(16,17)18)14(11-19)6-4-5-13(2)10-14/h13H,3-12,19H2,1-2H3.
What are the key properties of 1-(aminomethyl)-3-methyl-N-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine?
1-(aminomethyl)-3-methyl-N-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine has a molecular weight of 310.40 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-3-methyl-N-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 62005077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).