1-butoxy-3-[(4-methylcyclohexyl)amino]propan-2-ol

C14H29NO2 — CID 107262490

IUPAC1-butoxy-3-[(4-methylcyclohexyl)amino]propan-2-ol
SMILESCCCCOCC(O)CNC1CCC(C)CC1
InChIInChI=1S/C14H29NO2/c1-3-4-9-17-11-14(16)10-15-13-7-5-12(2)6-8-13/h12-16H,3-11H2,1-2H3
InChIKeyCDNAYEGEFHUYPE-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.33
Rot. Bonds8

About 1-butoxy-3-[(4-methylcyclohexyl)amino]propan-2-ol

1-butoxy-3-[(4-methylcyclohexyl)amino]propan-2-ol (PubChem CID 107262490) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 1-butoxy-3-[(4-methylcyclohexyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-butoxy-3-[(4-methylcyclohexyl)amino]propan-2-ol
PubChem CID107262490
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name1-butoxy-3-[(4-methylcyclohexyl)amino]propan-2-ol
SMILESCCCCOCC(O)CNC1CCC(C)CC1
InChIInChI=1S/C14H29NO2/c1-3-4-9-17-11-14(16)10-15-13-7-5-12(2)6-8-13/h12-16H,3-11H2,1-2H3
InChIKeyCDNAYEGEFHUYPE-UHFFFAOYSA-N
XLogP2.33
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(Tert-butoxy)-3-(cyclohexylamino)propan-2-ol hydrochloride
CID 18593267
1-Methoxy-3-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-ol
CID 64756289
1-Methoxy-3-[[3-(trifluoromethyl)cyclohexyl]amino]propan-2-ol
CID 64757400
1-Methoxy-3-[[2-(trifluoromethyl)cyclohexyl]amino]propan-2-ol
CID 64758911
1-(4-Methylcyclohexyl)oxy-3-(4,4,4-trifluorobutan-2-ylamino)propan-2-ol
CID 105935461
1-Methoxy-4-[[4-(trifluoromethyl)cyclohexyl]amino]butan-2-ol
CID 113460019
1-(4-Methylcyclohexyl)oxy-3-(5,5,5-trifluoropentylamino)propan-2-ol
CID 115518878
1-[(4-Methylcyclohexyl)amino]propan-2-ol
CID 277603
3-(Tert-butoxy)-1-(cyclohexylamino)propan-2-ol
CID 16456269
(2R,3S)-1-(cyclohexylmethylamino)-5-methylhexane-2,3-diol
CID 22865290
1-Cyclohexylamino-3-methoxy-propan-2-ol
CID 50998281
1-(Cyclohexylamino)-3-ethoxypropan-2-ol
CID 58150351

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-3-[(4-methylcyclohexyl)amino]propan-2-ol?
The IUPAC name of 1-butoxy-3-[(4-methylcyclohexyl)amino]propan-2-ol (CID 107262490) is 1-butoxy-3-[(4-methylcyclohexyl)amino]propan-2-ol.
What is the SMILES notation for 1-butoxy-3-[(4-methylcyclohexyl)amino]propan-2-ol?
The canonical SMILES for 1-butoxy-3-[(4-methylcyclohexyl)amino]propan-2-ol is CCCCOCC(O)CNC1CCC(C)CC1.
What is the InChIKey of 1-butoxy-3-[(4-methylcyclohexyl)amino]propan-2-ol?
The InChIKey is CDNAYEGEFHUYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-3-4-9-17-11-14(16)10-15-13-7-5-12(2)6-8-13/h12-16H,3-11H2,1-2H3.
What are the key properties of 1-butoxy-3-[(4-methylcyclohexyl)amino]propan-2-ol?
1-butoxy-3-[(4-methylcyclohexyl)amino]propan-2-ol has a molecular weight of 243.39 g/mol, XLogP of 2.33, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-3-[(4-methylcyclohexyl)amino]propan-2-ol is sourced from PubChem (CID 107262490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).