2-[5-[2-[3-(4-methanimidoylphenoxy)propylamino]ethylamino]pentyl]guanidine

C18H32N6O — CID 144860201

IUPAC2-[5-[2-[3-(4-methanimidoylphenoxy)propylamino]ethylamino]pentyl]guanidine
SMILES[H]/N=C/c1ccc(OCCCNCCNCCCCCN=C(N)N)cc1
InChIInChI=1S/C18H32N6O/c19-15-16-5-7-17(8-6-16)25-14-4-10-23-13-12-22-9-2-1-3-11-24-18(20)21/h5-8,15,19,22-23H,1-4,9-14H2,(H4,20,21,24)/b19-15+
InChIKeyGIKUOGWJLNKQHQ-XDJHFCHBSA-N
MW348.50 g/mol
LogP1.08
Rot. Bonds15

About 2-[5-[2-[3-(4-methanimidoylphenoxy)propylamino]ethylamino]pentyl]guanidine

2-[5-[2-[3-(4-methanimidoylphenoxy)propylamino]ethylamino]pentyl]guanidine (PubChem CID 144860201) has the molecular formula C18H32N6O and a molecular weight of 348.50 g/mol. Its IUPAC name is 2-[5-[2-[3-(4-methanimidoylphenoxy)propylamino]ethylamino]pentyl]guanidine.

Molecular Properties

Compound Name2-[5-[2-[3-(4-methanimidoylphenoxy)propylamino]ethylamino]pentyl]guanidine
PubChem CID144860201
Molecular FormulaC18H32N6O
Molecular Weight348.50 g/mol
Exact Mass348.26
IUPAC Name2-[5-[2-[3-(4-methanimidoylphenoxy)propylamino]ethylamino]pentyl]guanidine
SMILES[H]/N=C/c1ccc(OCCCNCCNCCCCCN=C(N)N)cc1
InChIInChI=1S/C18H32N6O/c19-15-16-5-7-17(8-6-16)25-14-4-10-23-13-12-22-9-2-1-3-11-24-18(20)21/h5-8,15,19,22-23H,1-4,9-14H2,(H4,20,21,24)/b19-15+
InChIKeyGIKUOGWJLNKQHQ-XDJHFCHBSA-N
XLogP1.08
TPSA121.54 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.50
LogP ≤ 51.08
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

4-(4-carbamimidoylphenoxy)-N-[8-(diaminomethylideneamino)octyl]butanamide
CID 118151587
[4-[5-(4-methanimidoylphenoxy)pentoxy]phenyl]methanamine
CID 145111056
4-[3-[4-[6-(diaminomethylideneamino)hexyl]piperazin-1-yl]propoxy]benzenecarboximidamide
CID 11399477
6-[3-(4-carbamimidoylphenoxy)propylamino]hexanoic acid;hydrochloride
CID 67131778
6-[4-[[1-amino-2-[8-(diaminomethylideneamino)octylamino]ethylidene]amino]butoxy]pyridine-3-carboximidamide
CID 134404782
N'-[2-(4-methoxyphenoxy)ethyl]hexane-1,6-diamine
CID 83960627
2-[5-(3-methylbut-2-enylamino)pentyl]guanidine
CID 142908035
2-[7-(ethylamino)heptyl]guanidine
CID 10104259
(5-methoxy-1H-indol-3-yl)methanimine;2-pentylguanidine
CID 142314543
1-[8-[8-(diaminomethylideneamino)octoxy]octyl]guanidine
CID 176522885
(Z)-2-[N'-[4-[2-[2-(ethylamino)ethylamino]ethoxy]phenyl]carbamimidoyl]-4-iminobut-2-enamide
CID 135220228
chlorobenzene;1-[6-(diaminomethylideneamino)hexyl]guanidine
CID 176532079

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-[3-(4-methanimidoylphenoxy)propylamino]ethylamino]pentyl]guanidine?
The IUPAC name of 2-[5-[2-[3-(4-methanimidoylphenoxy)propylamino]ethylamino]pentyl]guanidine (CID 144860201) is 2-[5-[2-[3-(4-methanimidoylphenoxy)propylamino]ethylamino]pentyl]guanidine.
What is the SMILES notation for 2-[5-[2-[3-(4-methanimidoylphenoxy)propylamino]ethylamino]pentyl]guanidine?
The canonical SMILES for 2-[5-[2-[3-(4-methanimidoylphenoxy)propylamino]ethylamino]pentyl]guanidine is [H]/N=C/c1ccc(OCCCNCCNCCCCCN=C(N)N)cc1.
What is the InChIKey of 2-[5-[2-[3-(4-methanimidoylphenoxy)propylamino]ethylamino]pentyl]guanidine?
The InChIKey is GIKUOGWJLNKQHQ-XDJHFCHBSA-N. The full InChI is InChI=1S/C18H32N6O/c19-15-16-5-7-17(8-6-16)25-14-4-10-23-13-12-22-9-2-1-3-11-24-18(20)21/h5-8,15,19,22-23H,1-4,9-14H2,(H4,20,21,24)/b19-15+.
What are the key properties of 2-[5-[2-[3-(4-methanimidoylphenoxy)propylamino]ethylamino]pentyl]guanidine?
2-[5-[2-[3-(4-methanimidoylphenoxy)propylamino]ethylamino]pentyl]guanidine has a molecular weight of 348.50 g/mol, XLogP of 1.08, 15 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-[3-(4-methanimidoylphenoxy)propylamino]ethylamino]pentyl]guanidine is sourced from PubChem (CID 144860201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).