1-(4-tert-butylcyclohexyl)-N-morpholin-4-ylethane-1,2-diamine

C16H33N3O — CID 104575469

IUPAC1-(4-tert-butylcyclohexyl)-N-morpholin-4-ylethane-1,2-diamine
SMILESCC(C)(C)C1CCC(C(CN)NN2CCOCC2)CC1
InChIInChI=1S/C16H33N3O/c1-16(2,3)14-6-4-13(5-7-14)15(12-17)18-19-8-10-20-11-9-19/h13-15,18H,4-12,17H2,1-3H3
InChIKeyFLDQDSUTBPZIRZ-UHFFFAOYSA-N
MW283.46 g/mol
LogP2.00
Rot. Bonds4

About 1-(4-tert-butylcyclohexyl)-N-morpholin-4-ylethane-1,2-diamine

1-(4-tert-butylcyclohexyl)-N-morpholin-4-ylethane-1,2-diamine (PubChem CID 104575469) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 1-(4-tert-butylcyclohexyl)-N-morpholin-4-ylethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-tert-butylcyclohexyl)-N-morpholin-4-ylethane-1,2-diamine
PubChem CID104575469
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name1-(4-tert-butylcyclohexyl)-N-morpholin-4-ylethane-1,2-diamine
SMILESCC(C)(C)C1CCC(C(CN)NN2CCOCC2)CC1
InChIInChI=1S/C16H33N3O/c1-16(2,3)14-6-4-13(5-7-14)15(12-17)18-19-8-10-20-11-9-19/h13-15,18H,4-12,17H2,1-3H3
InChIKeyFLDQDSUTBPZIRZ-UHFFFAOYSA-N
XLogP2.00
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylcyclohexyl)-N-morpholin-4-ylethane-1,2-diamine?
The IUPAC name of 1-(4-tert-butylcyclohexyl)-N-morpholin-4-ylethane-1,2-diamine (CID 104575469) is 1-(4-tert-butylcyclohexyl)-N-morpholin-4-ylethane-1,2-diamine.
What is the SMILES notation for 1-(4-tert-butylcyclohexyl)-N-morpholin-4-ylethane-1,2-diamine?
The canonical SMILES for 1-(4-tert-butylcyclohexyl)-N-morpholin-4-ylethane-1,2-diamine is CC(C)(C)C1CCC(C(CN)NN2CCOCC2)CC1.
What is the InChIKey of 1-(4-tert-butylcyclohexyl)-N-morpholin-4-ylethane-1,2-diamine?
The InChIKey is FLDQDSUTBPZIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-16(2,3)14-6-4-13(5-7-14)15(12-17)18-19-8-10-20-11-9-19/h13-15,18H,4-12,17H2,1-3H3.
What are the key properties of 1-(4-tert-butylcyclohexyl)-N-morpholin-4-ylethane-1,2-diamine?
1-(4-tert-butylcyclohexyl)-N-morpholin-4-ylethane-1,2-diamine has a molecular weight of 283.46 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylcyclohexyl)-N-morpholin-4-ylethane-1,2-diamine is sourced from PubChem (CID 104575469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).