3-[(3-cyclohexyloxy-2-hydroxypropyl)amino]butan-1-ol

C13H27NO3 — CID 83178126

IUPAC3-[(3-cyclohexyloxy-2-hydroxypropyl)amino]butan-1-ol
SMILESCC(CCO)NCC(O)COC1CCCCC1
InChIInChI=1S/C13H27NO3/c1-11(7-8-15)14-9-12(16)10-17-13-5-3-2-4-6-13/h11-16H,2-10H2,1H3
InChIKeyKNONSXVFNWFFOY-UHFFFAOYSA-N
MW245.36 g/mol
LogP1.06
Rot. Bonds8

About 3-[(3-cyclohexyloxy-2-hydroxypropyl)amino]butan-1-ol

3-[(3-cyclohexyloxy-2-hydroxypropyl)amino]butan-1-ol (PubChem CID 83178126) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is 3-[(3-cyclohexyloxy-2-hydroxypropyl)amino]butan-1-ol.

Molecular Properties

Compound Name3-[(3-cyclohexyloxy-2-hydroxypropyl)amino]butan-1-ol
PubChem CID83178126
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC Name3-[(3-cyclohexyloxy-2-hydroxypropyl)amino]butan-1-ol
SMILESCC(CCO)NCC(O)COC1CCCCC1
InChIInChI=1S/C13H27NO3/c1-11(7-8-15)14-9-12(16)10-17-13-5-3-2-4-6-13/h11-16H,2-10H2,1H3
InChIKeyKNONSXVFNWFFOY-UHFFFAOYSA-N
XLogP1.06
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyloxy-3-(hexan-2-ylamino)propan-2-ol
CID 55049964
1-cyclopentyloxy-3-[4-(dimethylamino)butan-2-ylamino]propan-2-ol
CID 54963637
3-[(3-cyclohexyloxy-2-hydroxypropyl)amino]-4-methoxybutan-1-ol
CID 106159619
1-[[(1S)-1-cycloheptylethyl]amino]-3-cyclopentyloxypropan-2-ol
CID 81391866
1-(4-methylcyclohexyl)oxy-3-(5-methylhexan-2-ylamino)propan-2-ol
CID 60634451
1-(hexan-2-ylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 62200592
(E)-but-2-enedioic acid;1-cyclooctyloxy-3-(propan-2-ylamino)propan-2-ol
CID 6447189
1-(3-methylcyclohexyl)oxy-3-(pentan-2-ylamino)propan-2-ol
CID 60634369
1-cyclohexyloxy-3-(4-methylpentylamino)propan-2-ol
CID 60743809
ethyl 2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]propanoate
CID 61499198
3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-4-methylpentan-1-ol
CID 104891895
2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]-N,N-dimethylpropanamide
CID 54950826

Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyclohexyloxy-2-hydroxypropyl)amino]butan-1-ol?
The IUPAC name of 3-[(3-cyclohexyloxy-2-hydroxypropyl)amino]butan-1-ol (CID 83178126) is 3-[(3-cyclohexyloxy-2-hydroxypropyl)amino]butan-1-ol.
What is the SMILES notation for 3-[(3-cyclohexyloxy-2-hydroxypropyl)amino]butan-1-ol?
The canonical SMILES for 3-[(3-cyclohexyloxy-2-hydroxypropyl)amino]butan-1-ol is CC(CCO)NCC(O)COC1CCCCC1.
What is the InChIKey of 3-[(3-cyclohexyloxy-2-hydroxypropyl)amino]butan-1-ol?
The InChIKey is KNONSXVFNWFFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3/c1-11(7-8-15)14-9-12(16)10-17-13-5-3-2-4-6-13/h11-16H,2-10H2,1H3.
What are the key properties of 3-[(3-cyclohexyloxy-2-hydroxypropyl)amino]butan-1-ol?
3-[(3-cyclohexyloxy-2-hydroxypropyl)amino]butan-1-ol has a molecular weight of 245.36 g/mol, XLogP of 1.06, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyclohexyloxy-2-hydroxypropyl)amino]butan-1-ol is sourced from PubChem (CID 83178126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).