1-cyclohexyloxy-3-(cyclopentylamino)propan-2-ol;hydrochloride

C14H28ClNO2 — CID 44782577

IUPAC1-cyclohexyloxy-3-(cyclopentylamino)propan-2-ol;hydrochloride
SMILESCl.OC(CNC1CCCC1)COC1CCCCC1
InChIInChI=1S/C14H27NO2.ClH/c16-13(10-15-12-6-4-5-7-12)11-17-14-8-2-1-3-9-14;/h12-16H,1-11H2;1H
InChIKeyPDDVADZILQFHLW-UHFFFAOYSA-N
MW277.84 g/mol
LogP2.65
Rot. Bonds6

About 1-cyclohexyloxy-3-(cyclopentylamino)propan-2-ol;hydrochloride

1-cyclohexyloxy-3-(cyclopentylamino)propan-2-ol;hydrochloride (PubChem CID 44782577) has the molecular formula C14H28ClNO2 and a molecular weight of 277.84 g/mol. Its IUPAC name is 1-cyclohexyloxy-3-(cyclopentylamino)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-cyclohexyloxy-3-(cyclopentylamino)propan-2-ol;hydrochloride
PubChem CID44782577
Molecular FormulaC14H28ClNO2
Molecular Weight277.84 g/mol
Exact Mass277.18
IUPAC Name1-cyclohexyloxy-3-(cyclopentylamino)propan-2-ol;hydrochloride
SMILESCl.OC(CNC1CCCC1)COC1CCCCC1
InChIInChI=1S/C14H27NO2.ClH/c16-13(10-15-12-6-4-5-7-12)11-17-14-8-2-1-3-9-14;/h12-16H,1-11H2;1H
InChIKeyPDDVADZILQFHLW-UHFFFAOYSA-N
XLogP2.65
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.84
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclobutylamino)-3-cyclohexyloxypropan-2-ol
CID 62414367
4-[(3-cyclohexyloxy-2-hydroxypropyl)amino]cyclohexane-1-carboxamide
CID 61044585
1-cyclopentyloxy-3-(thiolan-3-ylamino)propan-2-ol
CID 103062838
1-[(4-methylcyclohexyl)amino]-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 60633137
1-(cyclooctylamino)-3-(2-methylpropoxy)propan-2-ol
CID 60635542
1-cyclohexyloxy-3-[(2-methylcyclopentyl)amino]propan-2-ol
CID 63278409
1-(cyclohexylamino)-3-propan-2-yloxypropan-2-ol
CID 60633332
1-(cycloheptylamino)-3-ethoxypropan-2-ol
CID 63933573
1-[[(1S)-1-cycloheptylethyl]amino]-3-cyclopentyloxypropan-2-ol
CID 81391866
1-cyclopentyloxy-3-[(1-methylsulfonylpiperidin-4-yl)amino]propan-2-ol
CID 60908468
1-cyclopentyloxy-3-(cyclopentyloxyamino)propan-2-ol
CID 83228878
(2S)-1-(cyclohexylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 8741576

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyloxy-3-(cyclopentylamino)propan-2-ol;hydrochloride?
The IUPAC name of 1-cyclohexyloxy-3-(cyclopentylamino)propan-2-ol;hydrochloride (CID 44782577) is 1-cyclohexyloxy-3-(cyclopentylamino)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-cyclohexyloxy-3-(cyclopentylamino)propan-2-ol;hydrochloride?
The canonical SMILES for 1-cyclohexyloxy-3-(cyclopentylamino)propan-2-ol;hydrochloride is Cl.OC(CNC1CCCC1)COC1CCCCC1.
What is the InChIKey of 1-cyclohexyloxy-3-(cyclopentylamino)propan-2-ol;hydrochloride?
The InChIKey is PDDVADZILQFHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2.ClH/c16-13(10-15-12-6-4-5-7-12)11-17-14-8-2-1-3-9-14;/h12-16H,1-11H2;1H.
What are the key properties of 1-cyclohexyloxy-3-(cyclopentylamino)propan-2-ol;hydrochloride?
1-cyclohexyloxy-3-(cyclopentylamino)propan-2-ol;hydrochloride has a molecular weight of 277.84 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyloxy-3-(cyclopentylamino)propan-2-ol;hydrochloride is sourced from PubChem (CID 44782577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).