4-[[2-amino-1-(4-tert-butylcyclohexyl)ethyl]amino]pentan-2-ol

C17H36N2O — CID 104575475

IUPAC4-[[2-amino-1-(4-tert-butylcyclohexyl)ethyl]amino]pentan-2-ol
SMILESCC(O)CC(C)NC(CN)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H36N2O/c1-12(10-13(2)20)19-16(11-18)14-6-8-15(9-7-14)17(3,4)5/h12-16,19-20H,6-11,18H2,1-5H3
InChIKeyTYDHOTDKAPPQPL-UHFFFAOYSA-N
MW284.49 g/mol
LogP2.92
Rot. Bonds6

About 4-[[2-amino-1-(4-tert-butylcyclohexyl)ethyl]amino]pentan-2-ol

4-[[2-amino-1-(4-tert-butylcyclohexyl)ethyl]amino]pentan-2-ol (PubChem CID 104575475) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is 4-[[2-amino-1-(4-tert-butylcyclohexyl)ethyl]amino]pentan-2-ol.

Molecular Properties

Compound Name4-[[2-amino-1-(4-tert-butylcyclohexyl)ethyl]amino]pentan-2-ol
PubChem CID104575475
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC Name4-[[2-amino-1-(4-tert-butylcyclohexyl)ethyl]amino]pentan-2-ol
SMILESCC(O)CC(C)NC(CN)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H36N2O/c1-12(10-13(2)20)19-16(11-18)14-6-8-15(9-7-14)17(3,4)5/h12-16,19-20H,6-11,18H2,1-5H3
InChIKeyTYDHOTDKAPPQPL-UHFFFAOYSA-N
XLogP2.92
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-amino-1-(4-tert-butylcyclohexyl)ethyl]amino]pentan-2-ol?
The IUPAC name of 4-[[2-amino-1-(4-tert-butylcyclohexyl)ethyl]amino]pentan-2-ol (CID 104575475) is 4-[[2-amino-1-(4-tert-butylcyclohexyl)ethyl]amino]pentan-2-ol.
What is the SMILES notation for 4-[[2-amino-1-(4-tert-butylcyclohexyl)ethyl]amino]pentan-2-ol?
The canonical SMILES for 4-[[2-amino-1-(4-tert-butylcyclohexyl)ethyl]amino]pentan-2-ol is CC(O)CC(C)NC(CN)C1CCC(C(C)(C)C)CC1.
What is the InChIKey of 4-[[2-amino-1-(4-tert-butylcyclohexyl)ethyl]amino]pentan-2-ol?
The InChIKey is TYDHOTDKAPPQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-12(10-13(2)20)19-16(11-18)14-6-8-15(9-7-14)17(3,4)5/h12-16,19-20H,6-11,18H2,1-5H3.
What are the key properties of 4-[[2-amino-1-(4-tert-butylcyclohexyl)ethyl]amino]pentan-2-ol?
4-[[2-amino-1-(4-tert-butylcyclohexyl)ethyl]amino]pentan-2-ol has a molecular weight of 284.49 g/mol, XLogP of 2.92, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-amino-1-(4-tert-butylcyclohexyl)ethyl]amino]pentan-2-ol is sourced from PubChem (CID 104575475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).