3-[(hex-5-en-2-ylamino)methyl]hexan-1-ol

C13H27NO — CID 104582833

IUPAC3-[(hex-5-en-2-ylamino)methyl]hexan-1-ol
SMILESC=CCCC(C)NCC(CCC)CCO
InChIInChI=1S/C13H27NO/c1-4-6-8-12(3)14-11-13(7-5-2)9-10-15/h4,12-15H,1,5-11H2,2-3H3
InChIKeyRYXMISBOZJVWIJ-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.73
Rot. Bonds10

About 3-[(hex-5-en-2-ylamino)methyl]hexan-1-ol

3-[(hex-5-en-2-ylamino)methyl]hexan-1-ol (PubChem CID 104582833) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 3-[(hex-5-en-2-ylamino)methyl]hexan-1-ol.

Molecular Properties

Compound Name3-[(hex-5-en-2-ylamino)methyl]hexan-1-ol
PubChem CID104582833
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name3-[(hex-5-en-2-ylamino)methyl]hexan-1-ol
SMILESC=CCCC(C)NCC(CCC)CCO
InChIInChI=1S/C13H27NO/c1-4-6-8-12(3)14-11-13(7-5-2)9-10-15/h4,12-15H,1,5-11H2,2-3H3
InChIKeyRYXMISBOZJVWIJ-UHFFFAOYSA-N
XLogP2.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(hex-5-en-2-ylamino)methyl]hexan-1-ol?
The IUPAC name of 3-[(hex-5-en-2-ylamino)methyl]hexan-1-ol (CID 104582833) is 3-[(hex-5-en-2-ylamino)methyl]hexan-1-ol.
What is the SMILES notation for 3-[(hex-5-en-2-ylamino)methyl]hexan-1-ol?
The canonical SMILES for 3-[(hex-5-en-2-ylamino)methyl]hexan-1-ol is C=CCCC(C)NCC(CCC)CCO.
What is the InChIKey of 3-[(hex-5-en-2-ylamino)methyl]hexan-1-ol?
The InChIKey is RYXMISBOZJVWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-6-8-12(3)14-11-13(7-5-2)9-10-15/h4,12-15H,1,5-11H2,2-3H3.
What are the key properties of 3-[(hex-5-en-2-ylamino)methyl]hexan-1-ol?
3-[(hex-5-en-2-ylamino)methyl]hexan-1-ol has a molecular weight of 213.36 g/mol, XLogP of 2.73, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(hex-5-en-2-ylamino)methyl]hexan-1-ol is sourced from PubChem (CID 104582833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).