1-cyclohexyloxy-3-(4-methylpentylamino)propan-2-ol

C15H31NO2 — CID 60743809

IUPAC1-cyclohexyloxy-3-(4-methylpentylamino)propan-2-ol
SMILESCC(C)CCCNCC(O)COC1CCCCC1
InChIInChI=1S/C15H31NO2/c1-13(2)7-6-10-16-11-14(17)12-18-15-8-4-3-5-9-15/h13-17H,3-12H2,1-2H3
InChIKeyRNRMRFWRLRODGC-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.72
Rot. Bonds9

About 1-cyclohexyloxy-3-(4-methylpentylamino)propan-2-ol

1-cyclohexyloxy-3-(4-methylpentylamino)propan-2-ol (PubChem CID 60743809) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 1-cyclohexyloxy-3-(4-methylpentylamino)propan-2-ol.

Molecular Properties

Compound Name1-cyclohexyloxy-3-(4-methylpentylamino)propan-2-ol
PubChem CID60743809
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name1-cyclohexyloxy-3-(4-methylpentylamino)propan-2-ol
SMILESCC(C)CCCNCC(O)COC1CCCCC1
InChIInChI=1S/C15H31NO2/c1-13(2)7-6-10-16-11-14(17)12-18-15-8-4-3-5-9-15/h13-17H,3-12H2,1-2H3
InChIKeyRNRMRFWRLRODGC-UHFFFAOYSA-N
XLogP2.72
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.72
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-(butylamino)-3-cycloheptyloxypropan-2-ol
CID 3055663
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CID 63827682
1-cyclopentyloxy-3-(2-methylsulfonylethylamino)propan-2-ol
CID 54934973
1-cyclopentyloxy-3-(2-ethoxyethylamino)propan-2-ol
CID 60909932
1-cyclopentyloxy-3-(2-methoxypropylamino)propan-2-ol
CID 102697876
1-cyclohexyloxy-3-(2-piperidin-1-ylethylamino)propan-2-ol
CID 60969149
3-[(3-cyclohexyloxy-2-hydroxypropyl)amino]propanamide
CID 54938816
1-cyclohexyloxy-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol
CID 63966706
2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]ethylurea
CID 83120361
1-cyclopentyloxy-3-[2-[ethyl(methyl)amino]ethylamino]propan-2-ol
CID 62636791
1-cyclohexyloxy-3-(hexan-2-ylamino)propan-2-ol
CID 55049964
N-(cyclohexylmethyl)-4-methylpentan-1-amine
CID 60743779

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyloxy-3-(4-methylpentylamino)propan-2-ol?
The IUPAC name of 1-cyclohexyloxy-3-(4-methylpentylamino)propan-2-ol (CID 60743809) is 1-cyclohexyloxy-3-(4-methylpentylamino)propan-2-ol.
What is the SMILES notation for 1-cyclohexyloxy-3-(4-methylpentylamino)propan-2-ol?
The canonical SMILES for 1-cyclohexyloxy-3-(4-methylpentylamino)propan-2-ol is CC(C)CCCNCC(O)COC1CCCCC1.
What is the InChIKey of 1-cyclohexyloxy-3-(4-methylpentylamino)propan-2-ol?
The InChIKey is RNRMRFWRLRODGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-13(2)7-6-10-16-11-14(17)12-18-15-8-4-3-5-9-15/h13-17H,3-12H2,1-2H3.
What are the key properties of 1-cyclohexyloxy-3-(4-methylpentylamino)propan-2-ol?
1-cyclohexyloxy-3-(4-methylpentylamino)propan-2-ol has a molecular weight of 257.42 g/mol, XLogP of 2.72, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyloxy-3-(4-methylpentylamino)propan-2-ol is sourced from PubChem (CID 60743809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).