1-(cyclopentylamino)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol;hydrochloride

C18H36ClNO2 — CID 2969884

IUPAC1-(cyclopentylamino)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol;hydrochloride
SMILESCC1CCC(C(C)C)C(OCC(O)CNC2CCCC2)C1.Cl
InChIInChI=1S/C18H35NO2.ClH/c1-13(2)17-9-8-14(3)10-18(17)21-12-16(20)11-19-15-6-4-5-7-15;/h13-20H,4-12H2,1-3H3;1H
InChIKeyHSVHONJZWHAGNV-UHFFFAOYSA-N
MW333.94 g/mol
LogP3.78
Rot. Bonds7

About 1-(cyclopentylamino)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol;hydrochloride

1-(cyclopentylamino)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol;hydrochloride (PubChem CID 2969884) has the molecular formula C18H36ClNO2 and a molecular weight of 333.94 g/mol. Its IUPAC name is 1-(cyclopentylamino)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(cyclopentylamino)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol;hydrochloride
PubChem CID2969884
Molecular FormulaC18H36ClNO2
Molecular Weight333.94 g/mol
Exact Mass333.24
IUPAC Name1-(cyclopentylamino)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol;hydrochloride
SMILESCC1CCC(C(C)C)C(OCC(O)CNC2CCCC2)C1.Cl
InChIInChI=1S/C18H35NO2.ClH/c1-13(2)17-9-8-14(3)10-18(17)21-12-16(20)11-19-15-6-4-5-7-15;/h13-20H,4-12H2,1-3H3;1H
InChIKeyHSVHONJZWHAGNV-UHFFFAOYSA-N
XLogP3.78
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.94
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylamino)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol;hydrochloride?
The IUPAC name of 1-(cyclopentylamino)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol;hydrochloride (CID 2969884) is 1-(cyclopentylamino)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol;hydrochloride.
What is the SMILES notation for 1-(cyclopentylamino)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol;hydrochloride?
The canonical SMILES for 1-(cyclopentylamino)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol;hydrochloride is CC1CCC(C(C)C)C(OCC(O)CNC2CCCC2)C1.Cl.
What is the InChIKey of 1-(cyclopentylamino)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol;hydrochloride?
The InChIKey is HSVHONJZWHAGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO2.ClH/c1-13(2)17-9-8-14(3)10-18(17)21-12-16(20)11-19-15-6-4-5-7-15;/h13-20H,4-12H2,1-3H3;1H.
What are the key properties of 1-(cyclopentylamino)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol;hydrochloride?
1-(cyclopentylamino)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol;hydrochloride has a molecular weight of 333.94 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylamino)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol;hydrochloride is sourced from PubChem (CID 2969884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).