7-(2-amino-5-hexylcyclopentyl)heptan-1-ol

C18H37NO — CID 23220320

IUPAC7-(2-amino-5-hexylcyclopentyl)heptan-1-ol
SMILESCCCCCCC1CCC(N)C1CCCCCCCO
InChIInChI=1S/C18H37NO/c1-2-3-4-8-11-16-13-14-18(19)17(16)12-9-6-5-7-10-15-20/h16-18,20H,2-15,19H2,1H3
InChIKeyIEPDVDAPXSLGJK-UHFFFAOYSA-N
MW283.50 g/mol
LogP4.64
Rot. Bonds12

About 7-(2-amino-5-hexylcyclopentyl)heptan-1-ol

7-(2-amino-5-hexylcyclopentyl)heptan-1-ol (PubChem CID 23220320) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is 7-(2-amino-5-hexylcyclopentyl)heptan-1-ol.

Molecular Properties

Compound Name7-(2-amino-5-hexylcyclopentyl)heptan-1-ol
PubChem CID23220320
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC Name7-(2-amino-5-hexylcyclopentyl)heptan-1-ol
SMILESCCCCCCC1CCC(N)C1CCCCCCCO
InChIInChI=1S/C18H37NO/c1-2-3-4-8-11-16-13-14-18(19)17(16)12-9-6-5-7-10-15-20/h16-18,20H,2-15,19H2,1H3
InChIKeyIEPDVDAPXSLGJK-UHFFFAOYSA-N
XLogP4.64
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 54.64
H-Bond Donors ≤ 52
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 7-(2-amino-5-hexylcyclopentyl)heptan-1-ol?
The IUPAC name of 7-(2-amino-5-hexylcyclopentyl)heptan-1-ol (CID 23220320) is 7-(2-amino-5-hexylcyclopentyl)heptan-1-ol.
What is the SMILES notation for 7-(2-amino-5-hexylcyclopentyl)heptan-1-ol?
The canonical SMILES for 7-(2-amino-5-hexylcyclopentyl)heptan-1-ol is CCCCCCC1CCC(N)C1CCCCCCCO.
What is the InChIKey of 7-(2-amino-5-hexylcyclopentyl)heptan-1-ol?
The InChIKey is IEPDVDAPXSLGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO/c1-2-3-4-8-11-16-13-14-18(19)17(16)12-9-6-5-7-10-15-20/h16-18,20H,2-15,19H2,1H3.
What are the key properties of 7-(2-amino-5-hexylcyclopentyl)heptan-1-ol?
7-(2-amino-5-hexylcyclopentyl)heptan-1-ol has a molecular weight of 283.50 g/mol, XLogP of 4.64, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-amino-5-hexylcyclopentyl)heptan-1-ol is sourced from PubChem (CID 23220320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).