1-[6-[6-[[amino-(prop-2-enylamino)methylidene]amino]hexylamino]hexyl]-2-prop-2-enylguanidine

C20H41N7 — CID 176517606

IUPAC1-[6-[6-[[amino-(prop-2-enylamino)methylidene]amino]hexylamino]hexyl]-2-prop-2-enylguanidine
SMILESC=CC/N=C(\N)NCCCCCCNCCCCCC/N=C(\N)NCC=C
InChIInChI=1S/C20H41N7/c1-3-13-24-19(21)26-17-11-7-5-9-15-23-16-10-6-8-12-18-27-20(22)25-14-4-2/h3-4,23H,1-2,5-18H2,(H3,21,24,26)(H3,22,25,27)
InChIKeyUUABZQQBEUTQKR-UHFFFAOYSA-N
MW379.60 g/mol
LogP1.88
Rot. Bonds18

About 1-[6-[6-[[amino-(prop-2-enylamino)methylidene]amino]hexylamino]hexyl]-2-prop-2-enylguanidine

1-[6-[6-[[amino-(prop-2-enylamino)methylidene]amino]hexylamino]hexyl]-2-prop-2-enylguanidine (PubChem CID 176517606) has the molecular formula C20H41N7 and a molecular weight of 379.60 g/mol. Its IUPAC name is 1-[6-[6-[[amino-(prop-2-enylamino)methylidene]amino]hexylamino]hexyl]-2-prop-2-enylguanidine.

Molecular Properties

Compound Name1-[6-[6-[[amino-(prop-2-enylamino)methylidene]amino]hexylamino]hexyl]-2-prop-2-enylguanidine
PubChem CID176517606
Molecular FormulaC20H41N7
Molecular Weight379.60 g/mol
Exact Mass379.34
IUPAC Name1-[6-[6-[[amino-(prop-2-enylamino)methylidene]amino]hexylamino]hexyl]-2-prop-2-enylguanidine
SMILESC=CC/N=C(\N)NCCCCCCNCCCCCC/N=C(\N)NCC=C
InChIInChI=1S/C20H41N7/c1-3-13-24-19(21)26-17-11-7-5-9-15-23-16-10-6-8-12-18-27-20(22)25-14-4-2/h3-4,23H,1-2,5-18H2,(H3,21,24,26)(H3,22,25,27)
InChIKeyUUABZQQBEUTQKR-UHFFFAOYSA-N
XLogP1.88
TPSA112.85 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.60
LogP ≤ 51.88
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[6-[[amino-(prop-2-enylamino)methylidene]amino]hexylamino]hexyl]-2-prop-2-enylguanidine?
The IUPAC name of 1-[6-[6-[[amino-(prop-2-enylamino)methylidene]amino]hexylamino]hexyl]-2-prop-2-enylguanidine (CID 176517606) is 1-[6-[6-[[amino-(prop-2-enylamino)methylidene]amino]hexylamino]hexyl]-2-prop-2-enylguanidine.
What is the SMILES notation for 1-[6-[6-[[amino-(prop-2-enylamino)methylidene]amino]hexylamino]hexyl]-2-prop-2-enylguanidine?
The canonical SMILES for 1-[6-[6-[[amino-(prop-2-enylamino)methylidene]amino]hexylamino]hexyl]-2-prop-2-enylguanidine is C=CC/N=C(\N)NCCCCCCNCCCCCC/N=C(\N)NCC=C.
What is the InChIKey of 1-[6-[6-[[amino-(prop-2-enylamino)methylidene]amino]hexylamino]hexyl]-2-prop-2-enylguanidine?
The InChIKey is UUABZQQBEUTQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N7/c1-3-13-24-19(21)26-17-11-7-5-9-15-23-16-10-6-8-12-18-27-20(22)25-14-4-2/h3-4,23H,1-2,5-18H2,(H3,21,24,26)(H3,22,25,27).
What are the key properties of 1-[6-[6-[[amino-(prop-2-enylamino)methylidene]amino]hexylamino]hexyl]-2-prop-2-enylguanidine?
1-[6-[6-[[amino-(prop-2-enylamino)methylidene]amino]hexylamino]hexyl]-2-prop-2-enylguanidine has a molecular weight of 379.60 g/mol, XLogP of 1.88, 18 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[6-[[amino-(prop-2-enylamino)methylidene]amino]hexylamino]hexyl]-2-prop-2-enylguanidine is sourced from PubChem (CID 176517606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).