1-(2-butoxyethoxy)-3-[(2,4-dimethylcyclohexyl)amino]propan-2-ol

C17H35NO3 — CID 63994700

IUPAC1-(2-butoxyethoxy)-3-[(2,4-dimethylcyclohexyl)amino]propan-2-ol
SMILESCCCCOCCOCC(O)CNC1CCC(C)CC1C
InChIInChI=1S/C17H35NO3/c1-4-5-8-20-9-10-21-13-16(19)12-18-17-7-6-14(2)11-15(17)3/h14-19H,4-13H2,1-3H3
InChIKeyZULRQPVAGZCWOB-UHFFFAOYSA-N
MW301.47 g/mol
LogP2.59
Rot. Bonds11

About 1-(2-butoxyethoxy)-3-[(2,4-dimethylcyclohexyl)amino]propan-2-ol

1-(2-butoxyethoxy)-3-[(2,4-dimethylcyclohexyl)amino]propan-2-ol (PubChem CID 63994700) has the molecular formula C17H35NO3 and a molecular weight of 301.47 g/mol. Its IUPAC name is 1-(2-butoxyethoxy)-3-[(2,4-dimethylcyclohexyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(2-butoxyethoxy)-3-[(2,4-dimethylcyclohexyl)amino]propan-2-ol
PubChem CID63994700
Molecular FormulaC17H35NO3
Molecular Weight301.47 g/mol
Exact Mass301.26
IUPAC Name1-(2-butoxyethoxy)-3-[(2,4-dimethylcyclohexyl)amino]propan-2-ol
SMILESCCCCOCCOCC(O)CNC1CCC(C)CC1C
InChIInChI=1S/C17H35NO3/c1-4-5-8-20-9-10-21-13-16(19)12-18-17-7-6-14(2)11-15(17)3/h14-19H,4-13H2,1-3H3
InChIKeyZULRQPVAGZCWOB-UHFFFAOYSA-N
XLogP2.59
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.47
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-butoxy-3-[(3-methylcyclopentyl)amino]propan-2-ol
CID 107263143
1-[(2-methylcyclohexyl)amino]-3-octoxypropan-2-ol
CID 60632322
1-(2-butoxyethoxy)-3-(cyclopentylamino)propan-2-ol
CID 60635270
1-(2-butoxyethoxy)-3-(cyclohexylamino)propan-2-ol
CID 60633253
1-[(2,4-dimethylcyclohexyl)amino]-3-(4-methylphenoxy)propan-2-ol
CID 63995480
1-butoxy-3-[(4-ethylcyclohexyl)amino]propan-2-ol
CID 107262664
1-butoxy-3-[(2-cyclopropyloxolan-3-yl)amino]propan-2-ol
CID 107271893
(2R)-1-[2-(2-butoxyethoxy)ethoxy]-3-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]propan-2-ol
CID 92518845
1-(2-butoxyethoxy)-3-[(2-methylcyclopentyl)methylamino]propan-2-ol
CID 107417945
1-(2-butoxyethoxy)-3-(2-butoxyethylamino)propan-2-ol
CID 61171086
1-[(2,4-dimethylcyclohexyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 63995477
1-ethoxy-3-[(2-methylcyclohexyl)amino]propan-2-ol
CID 63933567

Frequently Asked Questions

What is the IUPAC name of 1-(2-butoxyethoxy)-3-[(2,4-dimethylcyclohexyl)amino]propan-2-ol?
The IUPAC name of 1-(2-butoxyethoxy)-3-[(2,4-dimethylcyclohexyl)amino]propan-2-ol (CID 63994700) is 1-(2-butoxyethoxy)-3-[(2,4-dimethylcyclohexyl)amino]propan-2-ol.
What is the SMILES notation for 1-(2-butoxyethoxy)-3-[(2,4-dimethylcyclohexyl)amino]propan-2-ol?
The canonical SMILES for 1-(2-butoxyethoxy)-3-[(2,4-dimethylcyclohexyl)amino]propan-2-ol is CCCCOCCOCC(O)CNC1CCC(C)CC1C.
What is the InChIKey of 1-(2-butoxyethoxy)-3-[(2,4-dimethylcyclohexyl)amino]propan-2-ol?
The InChIKey is ZULRQPVAGZCWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO3/c1-4-5-8-20-9-10-21-13-16(19)12-18-17-7-6-14(2)11-15(17)3/h14-19H,4-13H2,1-3H3.
What are the key properties of 1-(2-butoxyethoxy)-3-[(2,4-dimethylcyclohexyl)amino]propan-2-ol?
1-(2-butoxyethoxy)-3-[(2,4-dimethylcyclohexyl)amino]propan-2-ol has a molecular weight of 301.47 g/mol, XLogP of 2.59, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butoxyethoxy)-3-[(2,4-dimethylcyclohexyl)amino]propan-2-ol is sourced from PubChem (CID 63994700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).