1-[(2-butoxyethylamino)methyl]cycloheptan-1-ol

C14H29NO2 — CID 61171267

IUPAC1-[(2-butoxyethylamino)methyl]cycloheptan-1-ol
SMILESCCCCOCCNCC1(O)CCCCCC1
InChIInChI=1S/C14H29NO2/c1-2-3-11-17-12-10-15-13-14(16)8-6-4-5-7-9-14/h15-16H,2-13H2,1H3
InChIKeySUNSSCPUHNKTSG-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.48
Rot. Bonds8

About 1-[(2-butoxyethylamino)methyl]cycloheptan-1-ol

1-[(2-butoxyethylamino)methyl]cycloheptan-1-ol (PubChem CID 61171267) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 1-[(2-butoxyethylamino)methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[(2-butoxyethylamino)methyl]cycloheptan-1-ol
PubChem CID61171267
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name1-[(2-butoxyethylamino)methyl]cycloheptan-1-ol
SMILESCCCCOCCNCC1(O)CCCCCC1
InChIInChI=1S/C14H29NO2/c1-2-3-11-17-12-10-15-13-14(16)8-6-4-5-7-9-14/h15-16H,2-13H2,1H3
InChIKeySUNSSCPUHNKTSG-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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Frequently Asked Questions

What is the IUPAC name of 1-[(2-butoxyethylamino)methyl]cycloheptan-1-ol?
The IUPAC name of 1-[(2-butoxyethylamino)methyl]cycloheptan-1-ol (CID 61171267) is 1-[(2-butoxyethylamino)methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[(2-butoxyethylamino)methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[(2-butoxyethylamino)methyl]cycloheptan-1-ol is CCCCOCCNCC1(O)CCCCCC1.
What is the InChIKey of 1-[(2-butoxyethylamino)methyl]cycloheptan-1-ol?
The InChIKey is SUNSSCPUHNKTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-2-3-11-17-12-10-15-13-14(16)8-6-4-5-7-9-14/h15-16H,2-13H2,1H3.
What are the key properties of 1-[(2-butoxyethylamino)methyl]cycloheptan-1-ol?
1-[(2-butoxyethylamino)methyl]cycloheptan-1-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-[(2-butoxyethylamino)methyl]cycloheptan-1-ol is sourced from PubChem (CID 61171267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).