2,2,2-tricyclohexylethanamine

C20H37N — CID 57066061

IUPAC2,2,2-tricyclohexylethanamine
SMILESNCC(C1CCCCC1)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C20H37N/c21-16-20(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h17-19H,1-16,21H2
InChIKeyIGRWSFBTUNJBRV-UHFFFAOYSA-N
MW291.52 g/mol
LogP5.67
Rot. Bonds4

About 2,2,2-tricyclohexylethanamine

2,2,2-tricyclohexylethanamine (PubChem CID 57066061) has the molecular formula C20H37N and a molecular weight of 291.52 g/mol. Its IUPAC name is 2,2,2-tricyclohexylethanamine.

Molecular Properties

Compound Name2,2,2-tricyclohexylethanamine
PubChem CID57066061
Molecular FormulaC20H37N
Molecular Weight291.52 g/mol
Exact Mass291.29
IUPAC Name2,2,2-tricyclohexylethanamine
SMILESNCC(C1CCCCC1)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C20H37N/c21-16-20(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h17-19H,1-16,21H2
InChIKeyIGRWSFBTUNJBRV-UHFFFAOYSA-N
XLogP5.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.52
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclohexyl-2-methylpropan-1-amine
CID 19776368
2-cycloheptyl-2-methylpropan-1-amine
CID 82934909
copper;1,1-di(cyclooctyl)ethane-1,2-diamine
CID 118577975
1,1-di(cyclododecyl)propylcyclododecane
CID 91064013
2-amino-1-cycloheptyl-1-cyclopropylethanol
CID 82928815
2-cyclohexyl-2-cyclopropylpropan-1-amine
CID 83828448
2-cyclohexyl-2-fluoropropane-1,3-diamine;dihydrochloride
CID 122239786
(2S)-1-amino-2-cyclohexylpropan-2-ol
CID 93298138
2-cycloheptatriacontylethanamine
CID 70967764
3-amino-2-cycloheptyl-1,1,1-trifluoropropan-2-ol
CID 115034947
3-amino-2-cyclohexyl-1,1,1-trifluoropropan-2-ol
CID 83916807
2,2-dicyclohexylbutane-1,3-diamine
CID 23345386

Frequently Asked Questions

What is the IUPAC name of 2,2,2-tricyclohexylethanamine?
The IUPAC name of 2,2,2-tricyclohexylethanamine (CID 57066061) is 2,2,2-tricyclohexylethanamine.
What is the SMILES notation for 2,2,2-tricyclohexylethanamine?
The canonical SMILES for 2,2,2-tricyclohexylethanamine is NCC(C1CCCCC1)(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 2,2,2-tricyclohexylethanamine?
The InChIKey is IGRWSFBTUNJBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N/c21-16-20(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h17-19H,1-16,21H2.
What are the key properties of 2,2,2-tricyclohexylethanamine?
2,2,2-tricyclohexylethanamine has a molecular weight of 291.52 g/mol, XLogP of 5.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-tricyclohexylethanamine is sourced from PubChem (CID 57066061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).