1-(aminomethyl)-4-methyl-N-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine

C15H29F3N2O — CID 62005623

IUPAC1-(aminomethyl)-4-methyl-N-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
SMILESCCCN(CCOCC(F)(F)F)C1(CN)CCC(C)CC1
InChIInChI=1S/C15H29F3N2O/c1-3-8-20(9-10-21-12-15(16,17)18)14(11-19)6-4-13(2)5-7-14/h13H,3-12,19H2,1-2H3
InChIKeyJQYSDYCKUIVWPQ-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.18
Rot. Bonds8

About 1-(aminomethyl)-4-methyl-N-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine

1-(aminomethyl)-4-methyl-N-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine (PubChem CID 62005623) has the molecular formula C15H29F3N2O and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-(aminomethyl)-4-methyl-N-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-4-methyl-N-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
PubChem CID62005623
Molecular FormulaC15H29F3N2O
Molecular Weight310.40 g/mol
Exact Mass310.22
IUPAC Name1-(aminomethyl)-4-methyl-N-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
SMILESCCCN(CCOCC(F)(F)F)C1(CN)CCC(C)CC1
InChIInChI=1S/C15H29F3N2O/c1-3-8-20(9-10-21-12-15(16,17)18)14(11-19)6-4-13(2)5-7-14/h13H,3-12,19H2,1-2H3
InChIKeyJQYSDYCKUIVWPQ-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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Related Compounds

CID 117751223
CID 117751223
CID 55257530
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CID 61490311
CID 61490311
CID 61492202
CID 61492202
CID 61716995
CID 61716995
CID 62004510
CID 62004510
CID 62004519
CID 62004519
CID 62004899
CID 62004899
CID 62005061
CID 62005061
CID 62005068
CID 62005068
CID 62005077
CID 62005077
CID 62005442
CID 62005442

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-4-methyl-N-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-4-methyl-N-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine (CID 62005623) is 1-(aminomethyl)-4-methyl-N-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-4-methyl-N-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-4-methyl-N-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine is CCCN(CCOCC(F)(F)F)C1(CN)CCC(C)CC1.
What is the InChIKey of 1-(aminomethyl)-4-methyl-N-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine?
The InChIKey is JQYSDYCKUIVWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29F3N2O/c1-3-8-20(9-10-21-12-15(16,17)18)14(11-19)6-4-13(2)5-7-14/h13H,3-12,19H2,1-2H3.
What are the key properties of 1-(aminomethyl)-4-methyl-N-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine?
1-(aminomethyl)-4-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)-4-methyl-N-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 62005623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).