5-hydroxypentyl-dimethyl-prop-2-enylazanium

C10H22NO+ — CID 122227405

IUPAC5-hydroxypentyl-dimethyl-prop-2-enylazanium
SMILESC=CC[N+](C)(C)CCCCCO
InChIInChI=1S/C10H22NO/c1-4-8-11(2,3)9-6-5-7-10-12/h4,12H,1,5-10H2,2-3H3/q+1
InChIKeyYZAGDHXBCQCPPL-UHFFFAOYSA-N
MW172.29 g/mol
LogP1.41
Rot. Bonds7

About 5-hydroxypentyl-dimethyl-prop-2-enylazanium

5-hydroxypentyl-dimethyl-prop-2-enylazanium (PubChem CID 122227405) has the molecular formula C10H22NO+ and a molecular weight of 172.29 g/mol. Its IUPAC name is 5-hydroxypentyl-dimethyl-prop-2-enylazanium.

Molecular Properties

Compound Name5-hydroxypentyl-dimethyl-prop-2-enylazanium
PubChem CID122227405
Molecular FormulaC10H22NO+
Molecular Weight172.29 g/mol
Exact Mass172.17
IUPAC Name5-hydroxypentyl-dimethyl-prop-2-enylazanium
SMILESC=CC[N+](C)(C)CCCCCO
InChIInChI=1S/C10H22NO/c1-4-8-11(2,3)9-6-5-7-10-12/h4,12H,1,5-10H2,2-3H3/q+1
InChIKeyYZAGDHXBCQCPPL-UHFFFAOYSA-N
XLogP1.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.29
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxypentyl-dimethyl-prop-2-enylazanium?
The IUPAC name of 5-hydroxypentyl-dimethyl-prop-2-enylazanium (CID 122227405) is 5-hydroxypentyl-dimethyl-prop-2-enylazanium.
What is the SMILES notation for 5-hydroxypentyl-dimethyl-prop-2-enylazanium?
The canonical SMILES for 5-hydroxypentyl-dimethyl-prop-2-enylazanium is C=CC[N+](C)(C)CCCCCO.
What is the InChIKey of 5-hydroxypentyl-dimethyl-prop-2-enylazanium?
The InChIKey is YZAGDHXBCQCPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22NO/c1-4-8-11(2,3)9-6-5-7-10-12/h4,12H,1,5-10H2,2-3H3/q+1.
What are the key properties of 5-hydroxypentyl-dimethyl-prop-2-enylazanium?
5-hydroxypentyl-dimethyl-prop-2-enylazanium has a molecular weight of 172.29 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxypentyl-dimethyl-prop-2-enylazanium is sourced from PubChem (CID 122227405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).