5-[butyl(cyclopropyl)amino]pentan-1-ol

C12H25NO — CID 62227472

IUPAC5-[butyl(cyclopropyl)amino]pentan-1-ol
SMILESCCCCN(CCCCCO)C1CC1
InChIInChI=1S/C12H25NO/c1-2-3-9-13(12-7-8-12)10-5-4-6-11-14/h12,14H,2-11H2,1H3
InChIKeyULSXHTBSZOYEBI-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.41
Rot. Bonds9

About 5-[butyl(cyclopropyl)amino]pentan-1-ol

5-[butyl(cyclopropyl)amino]pentan-1-ol (PubChem CID 62227472) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 5-[butyl(cyclopropyl)amino]pentan-1-ol.

Molecular Properties

Compound Name5-[butyl(cyclopropyl)amino]pentan-1-ol
PubChem CID62227472
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name5-[butyl(cyclopropyl)amino]pentan-1-ol
SMILESCCCCN(CCCCCO)C1CC1
InChIInChI=1S/C12H25NO/c1-2-3-9-13(12-7-8-12)10-5-4-6-11-14/h12,14H,2-11H2,1H3
InChIKeyULSXHTBSZOYEBI-UHFFFAOYSA-N
XLogP2.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 5-[butyl(cyclopropyl)amino]pentan-1-ol?
The IUPAC name of 5-[butyl(cyclopropyl)amino]pentan-1-ol (CID 62227472) is 5-[butyl(cyclopropyl)amino]pentan-1-ol.
What is the SMILES notation for 5-[butyl(cyclopropyl)amino]pentan-1-ol?
The canonical SMILES for 5-[butyl(cyclopropyl)amino]pentan-1-ol is CCCCN(CCCCCO)C1CC1.
What is the InChIKey of 5-[butyl(cyclopropyl)amino]pentan-1-ol?
The InChIKey is ULSXHTBSZOYEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-2-3-9-13(12-7-8-12)10-5-4-6-11-14/h12,14H,2-11H2,1H3.
What are the key properties of 5-[butyl(cyclopropyl)amino]pentan-1-ol?
5-[butyl(cyclopropyl)amino]pentan-1-ol has a molecular weight of 199.34 g/mol, XLogP of 2.41, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[butyl(cyclopropyl)amino]pentan-1-ol is sourced from PubChem (CID 62227472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).