1-(butylamino)heptan-1-ol

C11H25NO — CID 88518025

IUPAC1-(butylamino)heptan-1-ol
SMILESCCCCCCC(O)NCCCC
InChIInChI=1S/C11H25NO/c1-3-5-7-8-9-11(13)12-10-6-4-2/h11-13H,3-10H2,1-2H3
InChIKeyZIMIMRAFPCQGAP-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.66
Rot. Bonds9

About 1-(butylamino)heptan-1-ol

1-(butylamino)heptan-1-ol (PubChem CID 88518025) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 1-(butylamino)heptan-1-ol.

Molecular Properties

Compound Name1-(butylamino)heptan-1-ol
PubChem CID88518025
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name1-(butylamino)heptan-1-ol
SMILESCCCCCCC(O)NCCCC
InChIInChI=1S/C11H25NO/c1-3-5-7-8-9-11(13)12-10-6-4-2/h11-13H,3-10H2,1-2H3
InChIKeyZIMIMRAFPCQGAP-UHFFFAOYSA-N
XLogP2.66
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(butylamino)dodecan-1-ol
CID 88517958
1-(pentylamino)dodecan-1-ol
CID 88518034
1-(hexadecylamino)docosan-1-ol
CID 88518088
1-(octylamino)dodecan-1-ol
CID 88518081
1-(3-hydroxypropylamino)octan-1-ol
CID 57106869
1-(3-hydroxypropylamino)decan-1-ol
CID 57171427
1-(propylamino)nonan-1-ol
CID 88518015
1-(propylamino)dodecan-1-ol
CID 88518023
1-(4-hydroxybutylamino)tetracosan-1-ol
CID 88518032
1-(4-hydroxybutylamino)icosan-1-ol
CID 57137086
1-(ethylamino)tetradecan-1-ol
CID 88518024
1-[5-(dodecylamino)pentylamino]pentan-1-ol
CID 166892872

Frequently Asked Questions

What is the IUPAC name of 1-(butylamino)heptan-1-ol?
The IUPAC name of 1-(butylamino)heptan-1-ol (CID 88518025) is 1-(butylamino)heptan-1-ol.
What is the SMILES notation for 1-(butylamino)heptan-1-ol?
The canonical SMILES for 1-(butylamino)heptan-1-ol is CCCCCCC(O)NCCCC.
What is the InChIKey of 1-(butylamino)heptan-1-ol?
The InChIKey is ZIMIMRAFPCQGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-3-5-7-8-9-11(13)12-10-6-4-2/h11-13H,3-10H2,1-2H3.
What are the key properties of 1-(butylamino)heptan-1-ol?
1-(butylamino)heptan-1-ol has a molecular weight of 187.33 g/mol, XLogP of 2.66, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(butylamino)heptan-1-ol is sourced from PubChem (CID 88518025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).