1-(4-tert-butylcyclohexyl)oxy-3-(cyclopentylamino)propan-2-ol

C18H35NO2 — CID 18838010

IUPAC1-(4-tert-butylcyclohexyl)oxy-3-(cyclopentylamino)propan-2-ol
SMILESCC(C)(C)C1CCC(OCC(O)CNC2CCCC2)CC1
InChIInChI=1S/C18H35NO2/c1-18(2,3)14-8-10-17(11-9-14)21-13-16(20)12-19-15-6-4-5-7-15/h14-17,19-20H,4-13H2,1-3H3
InChIKeyXDDZYWZCNKMNES-UHFFFAOYSA-N
MW297.48 g/mol
LogP3.50
Rot. Bonds6

About 1-(4-tert-butylcyclohexyl)oxy-3-(cyclopentylamino)propan-2-ol

1-(4-tert-butylcyclohexyl)oxy-3-(cyclopentylamino)propan-2-ol (PubChem CID 18838010) has the molecular formula C18H35NO2 and a molecular weight of 297.48 g/mol. Its IUPAC name is 1-(4-tert-butylcyclohexyl)oxy-3-(cyclopentylamino)propan-2-ol.

Molecular Properties

Compound Name1-(4-tert-butylcyclohexyl)oxy-3-(cyclopentylamino)propan-2-ol
PubChem CID18838010
Molecular FormulaC18H35NO2
Molecular Weight297.48 g/mol
Exact Mass297.27
IUPAC Name1-(4-tert-butylcyclohexyl)oxy-3-(cyclopentylamino)propan-2-ol
SMILESCC(C)(C)C1CCC(OCC(O)CNC2CCCC2)CC1
InChIInChI=1S/C18H35NO2/c1-18(2,3)14-8-10-17(11-9-14)21-13-16(20)12-19-15-6-4-5-7-15/h14-17,19-20H,4-13H2,1-3H3
InChIKeyXDDZYWZCNKMNES-UHFFFAOYSA-N
XLogP3.50
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.48
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylcyclohexyl)oxy-3-(cyclopentylamino)propan-2-ol?
The IUPAC name of 1-(4-tert-butylcyclohexyl)oxy-3-(cyclopentylamino)propan-2-ol (CID 18838010) is 1-(4-tert-butylcyclohexyl)oxy-3-(cyclopentylamino)propan-2-ol.
What is the SMILES notation for 1-(4-tert-butylcyclohexyl)oxy-3-(cyclopentylamino)propan-2-ol?
The canonical SMILES for 1-(4-tert-butylcyclohexyl)oxy-3-(cyclopentylamino)propan-2-ol is CC(C)(C)C1CCC(OCC(O)CNC2CCCC2)CC1.
What is the InChIKey of 1-(4-tert-butylcyclohexyl)oxy-3-(cyclopentylamino)propan-2-ol?
The InChIKey is XDDZYWZCNKMNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO2/c1-18(2,3)14-8-10-17(11-9-14)21-13-16(20)12-19-15-6-4-5-7-15/h14-17,19-20H,4-13H2,1-3H3.
What are the key properties of 1-(4-tert-butylcyclohexyl)oxy-3-(cyclopentylamino)propan-2-ol?
1-(4-tert-butylcyclohexyl)oxy-3-(cyclopentylamino)propan-2-ol has a molecular weight of 297.48 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylcyclohexyl)oxy-3-(cyclopentylamino)propan-2-ol is sourced from PubChem (CID 18838010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).