3-[(3-cyclohexyloxy-2-hydroxypropyl)amino]-4-methoxybutan-1-ol

C14H29NO4 — CID 106159619

IUPAC3-[(3-cyclohexyloxy-2-hydroxypropyl)amino]-4-methoxybutan-1-ol
SMILESCOCC(CCO)NCC(O)COC1CCCCC1
InChIInChI=1S/C14H29NO4/c1-18-10-12(7-8-16)15-9-13(17)11-19-14-5-3-2-4-6-14/h12-17H,2-11H2,1H3
InChIKeyDQWWUVBCBICFJQ-UHFFFAOYSA-N
MW275.39 g/mol
LogP0.68
Rot. Bonds10

About 3-[(3-cyclohexyloxy-2-hydroxypropyl)amino]-4-methoxybutan-1-ol

3-[(3-cyclohexyloxy-2-hydroxypropyl)amino]-4-methoxybutan-1-ol (PubChem CID 106159619) has the molecular formula C14H29NO4 and a molecular weight of 275.39 g/mol. Its IUPAC name is 3-[(3-cyclohexyloxy-2-hydroxypropyl)amino]-4-methoxybutan-1-ol.

Molecular Properties

Compound Name3-[(3-cyclohexyloxy-2-hydroxypropyl)amino]-4-methoxybutan-1-ol
PubChem CID106159619
Molecular FormulaC14H29NO4
Molecular Weight275.39 g/mol
Exact Mass275.21
IUPAC Name3-[(3-cyclohexyloxy-2-hydroxypropyl)amino]-4-methoxybutan-1-ol
SMILESCOCC(CCO)NCC(O)COC1CCCCC1
InChIInChI=1S/C14H29NO4/c1-18-10-12(7-8-16)15-9-13(17)11-19-14-5-3-2-4-6-14/h12-17H,2-11H2,1H3
InChIKeyDQWWUVBCBICFJQ-UHFFFAOYSA-N
XLogP0.68
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-4-methoxybutan-1-ol
CID 106159746
3-[(3-cyclohexyloxy-2-hydroxypropyl)amino]butan-1-ol
CID 83178126
1-cyclopentyloxy-3-(octan-4-ylamino)propan-2-ol
CID 106024420
1-[[(1S)-1-cycloheptylethyl]amino]-3-cyclopentyloxypropan-2-ol
CID 81391866
1-cyclohexyloxy-3-(hexan-2-ylamino)propan-2-ol
CID 55049964
1-cyclopentyloxy-3-[4-(dimethylamino)butan-2-ylamino]propan-2-ol
CID 54963637
(E)-but-2-enedioic acid;1-cyclooctyloxy-3-(propan-2-ylamino)propan-2-ol
CID 6447189
1-cyclohexyloxy-3-(cyclopentylamino)propan-2-ol;hydrochloride
CID 44782577
1-(cyclobutylamino)-3-cyclohexyloxypropan-2-ol
CID 62414367
1-cyclopentyloxy-3-methoxy-N-methylpropan-2-amine
CID 107506488
1-cyclohexyloxy-3-(4-methylpentylamino)propan-2-ol
CID 60743809
1-cyclohexyloxy-3-[(2-methoxy-2-methylpropyl)amino]propan-2-ol
CID 104760353

Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyclohexyloxy-2-hydroxypropyl)amino]-4-methoxybutan-1-ol?
The IUPAC name of 3-[(3-cyclohexyloxy-2-hydroxypropyl)amino]-4-methoxybutan-1-ol (CID 106159619) is 3-[(3-cyclohexyloxy-2-hydroxypropyl)amino]-4-methoxybutan-1-ol.
What is the SMILES notation for 3-[(3-cyclohexyloxy-2-hydroxypropyl)amino]-4-methoxybutan-1-ol?
The canonical SMILES for 3-[(3-cyclohexyloxy-2-hydroxypropyl)amino]-4-methoxybutan-1-ol is COCC(CCO)NCC(O)COC1CCCCC1.
What is the InChIKey of 3-[(3-cyclohexyloxy-2-hydroxypropyl)amino]-4-methoxybutan-1-ol?
The InChIKey is DQWWUVBCBICFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO4/c1-18-10-12(7-8-16)15-9-13(17)11-19-14-5-3-2-4-6-14/h12-17H,2-11H2,1H3.
What are the key properties of 3-[(3-cyclohexyloxy-2-hydroxypropyl)amino]-4-methoxybutan-1-ol?
3-[(3-cyclohexyloxy-2-hydroxypropyl)amino]-4-methoxybutan-1-ol has a molecular weight of 275.39 g/mol, XLogP of 0.68, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyclohexyloxy-2-hydroxypropyl)amino]-4-methoxybutan-1-ol is sourced from PubChem (CID 106159619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).