1-(aminomethyl)-N-prop-2-enyl-4-(trifluoromethyl)cyclohexan-1-amine

C11H19F3N2 — CID 65384722

IUPAC1-(aminomethyl)-N-prop-2-enyl-4-(trifluoromethyl)cyclohexan-1-amine
SMILESC=CCNC1(CN)CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2/c1-2-7-16-10(8-15)5-3-9(4-6-10)11(12,13)14/h2,9,16H,1,3-8,15H2
InChIKeyBQRZOVRSEYEMBA-UHFFFAOYSA-N
MW236.28 g/mol
LogP2.21
Rot. Bonds4

About 1-(aminomethyl)-N-prop-2-enyl-4-(trifluoromethyl)cyclohexan-1-amine

1-(aminomethyl)-N-prop-2-enyl-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 65384722) has the molecular formula C11H19F3N2 and a molecular weight of 236.28 g/mol. Its IUPAC name is 1-(aminomethyl)-N-prop-2-enyl-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-prop-2-enyl-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID65384722
Molecular FormulaC11H19F3N2
Molecular Weight236.28 g/mol
Exact Mass236.15
IUPAC Name1-(aminomethyl)-N-prop-2-enyl-4-(trifluoromethyl)cyclohexan-1-amine
SMILESC=CCNC1(CN)CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2/c1-2-7-16-10(8-15)5-3-9(4-6-10)11(12,13)14/h2,9,16H,1,3-8,15H2
InChIKeyBQRZOVRSEYEMBA-UHFFFAOYSA-N
XLogP2.21
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-prop-2-enyl-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-prop-2-enyl-4-(trifluoromethyl)cyclohexan-1-amine (CID 65384722) is 1-(aminomethyl)-N-prop-2-enyl-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-prop-2-enyl-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-prop-2-enyl-4-(trifluoromethyl)cyclohexan-1-amine is C=CCNC1(CN)CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-(aminomethyl)-N-prop-2-enyl-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is BQRZOVRSEYEMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2/c1-2-7-16-10(8-15)5-3-9(4-6-10)11(12,13)14/h2,9,16H,1,3-8,15H2.
What are the key properties of 1-(aminomethyl)-N-prop-2-enyl-4-(trifluoromethyl)cyclohexan-1-amine?
1-(aminomethyl)-N-prop-2-enyl-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 236.28 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-prop-2-enyl-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 65384722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).