1-(butylamino)-3-cycloheptyloxypropan-2-ol

C14H29NO2 — CID 3055663

IUPAC1-(butylamino)-3-cycloheptyloxypropan-2-ol
SMILESCCCCNCC(O)COC1CCCCCC1
InChIInChI=1S/C14H29NO2/c1-2-3-10-15-11-13(16)12-17-14-8-6-4-5-7-9-14/h13-16H,2-12H2,1H3
InChIKeyMCIQSBSIHZFFMD-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.48
Rot. Bonds8

About 1-(butylamino)-3-cycloheptyloxypropan-2-ol

1-(butylamino)-3-cycloheptyloxypropan-2-ol (PubChem CID 3055663) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 1-(butylamino)-3-cycloheptyloxypropan-2-ol.

Molecular Properties

Compound Name1-(butylamino)-3-cycloheptyloxypropan-2-ol
PubChem CID3055663
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name1-(butylamino)-3-cycloheptyloxypropan-2-ol
SMILESCCCCNCC(O)COC1CCCCCC1
InChIInChI=1S/C14H29NO2/c1-2-3-10-15-11-13(16)12-17-14-8-6-4-5-7-9-14/h13-16H,2-12H2,1H3
InChIKeyMCIQSBSIHZFFMD-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
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-cyclohexyloxy-3-(4-methylpentylamino)propan-2-ol
CID 60743809
1-cyclopentyloxy-3-(2-cyclopentyloxyethylamino)propan-2-ol
CID 63827682
1-cyclopentyloxy-3-(2-ethoxyethylamino)propan-2-ol
CID 60909932
1-(2-butoxyethoxy)-3-(2-cyclopentyloxyethylamino)propan-2-ol
CID 63828907
1-cyclopentyloxy-3-[2-[ethyl(methyl)amino]ethylamino]propan-2-ol
CID 62636791
1-cyclohexyloxy-3-(hexan-2-ylamino)propan-2-ol
CID 55049964
1-cyclopentyloxy-3-(2-methylsulfonylethylamino)propan-2-ol
CID 54934973
3-[(3-cyclohexyloxy-2-hydroxypropyl)amino]propanamide
CID 54938816
1-cyclohexyloxy-3-(2-piperidin-1-ylethylamino)propan-2-ol
CID 60969149
1-[(3-cyclohexyloxy-2-hydroxypropyl)amino]-2-methylpentan-2-ol
CID 106292600
2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]ethylurea
CID 83120361
1-cyclopentyloxy-3-(octan-4-ylamino)propan-2-ol
CID 106024420

Frequently Asked Questions

What is the IUPAC name of 1-(butylamino)-3-cycloheptyloxypropan-2-ol?
The IUPAC name of 1-(butylamino)-3-cycloheptyloxypropan-2-ol (CID 3055663) is 1-(butylamino)-3-cycloheptyloxypropan-2-ol.
What is the SMILES notation for 1-(butylamino)-3-cycloheptyloxypropan-2-ol?
The canonical SMILES for 1-(butylamino)-3-cycloheptyloxypropan-2-ol is CCCCNCC(O)COC1CCCCCC1.
What is the InChIKey of 1-(butylamino)-3-cycloheptyloxypropan-2-ol?
The InChIKey is MCIQSBSIHZFFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-2-3-10-15-11-13(16)12-17-14-8-6-4-5-7-9-14/h13-16H,2-12H2,1H3.
What are the key properties of 1-(butylamino)-3-cycloheptyloxypropan-2-ol?
1-(butylamino)-3-cycloheptyloxypropan-2-ol has a molecular weight of 243.39 g/mol, XLogP of 2.48, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(butylamino)-3-cycloheptyloxypropan-2-ol is sourced from PubChem (CID 3055663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).