1-[(E)-(5-hydroxy-1H-indol-3-yl)methylideneamino]-2-(3-phenylpropyl)guanidine

C19H21N5O — CID 135465941

IUPAC1-[(E)-(5-hydroxy-1H-indol-3-yl)methylideneamino]-2-(3-phenylpropyl)guanidine
SMILESN/C(=N\CCCc1ccccc1)N/N=C/c1c[nH]c2ccc(O)cc12
InChIInChI=1S/C19H21N5O/c20-19(21-10-4-7-14-5-2-1-3-6-14)24-23-13-15-12-22-18-9-8-16(25)11-17(15)18/h1-3,5-6,8-9,11-13,22,25H,4,7,10H2,(H3,20,21,24)/b23-13+
InChIKeyJKUGOLBAIWHFRT-YDZHTSKRSA-N
MW335.41 g/mol
LogP2.74
Rot. Bonds6

About 1-[(E)-(5-hydroxy-1H-indol-3-yl)methylideneamino]-2-(3-phenylpropyl)guanidine

1-[(E)-(5-hydroxy-1H-indol-3-yl)methylideneamino]-2-(3-phenylpropyl)guanidine (PubChem CID 135465941) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-[(E)-(5-hydroxy-1H-indol-3-yl)methylideneamino]-2-(3-phenylpropyl)guanidine.

Molecular Properties

Compound Name1-[(E)-(5-hydroxy-1H-indol-3-yl)methylideneamino]-2-(3-phenylpropyl)guanidine
PubChem CID135465941
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name1-[(E)-(5-hydroxy-1H-indol-3-yl)methylideneamino]-2-(3-phenylpropyl)guanidine
SMILESN/C(=N\CCCc1ccccc1)N/N=C/c1c[nH]c2ccc(O)cc12
InChIInChI=1S/C19H21N5O/c20-19(21-10-4-7-14-5-2-1-3-6-14)24-23-13-15-12-22-18-9-8-16(25)11-17(15)18/h1-3,5-6,8-9,11-13,22,25H,4,7,10H2,(H3,20,21,24)/b23-13+
InChIKeyJKUGOLBAIWHFRT-YDZHTSKRSA-N
XLogP2.74
TPSA98.79 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.74
H-Bond Donors ≤ 54
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(Z)-(5-hydroxy-1H-indol-3-yl)methylideneamino]-2-pentylguanidine;1-[(Z)-(5-hydroxy-1H-indol-3-yl)methylideneamino]-2-(2-phenylethyl)guanidine
CID 135462953
1-[(E)-(5-ethyl-1H-indol-3-yl)methylideneamino]-2-pentylguanidine;formaldehyde
CID 142998044
methane;1-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]-2-pentylguanidine
CID 172944391
1-[(Z)-(5-methoxy-1H-indol-3-yl)methylideneamino]-2-pentylguanidine;hydroiodide
CID 135616888
5-[[amino-[2-[(5-methoxy-1H-indol-3-yl)methylidene]hydrazinyl]methylidene]amino]pentanoic acid
CID 136647326
2-pentyl-1-[(E)-(5-propan-2-yloxy-1H-indol-3-yl)methylideneamino]guanidine
CID 135464159
(E)-but-2-enedioic acid;1-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]-2-pentylguanidine;hydrobromide
CID 143321435
[(Z)-(5-phenylmethoxy-1H-indol-3-yl)methylideneamino]thiourea
CID 136836360
heptanedioic acid;1-[(Z)-(5-methoxy-1H-indol-3-yl)methylideneamino]-2-pentylguanidine
CID 135870813
1-[(E)-(7-ethyl-5-hydroxy-1H-indol-3-yl)methylideneamino]-2-[2-(4-methylphenyl)ethyl]guanidine
CID 172929920
4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;1-[(Z)-(5-methoxy-1H-indol-3-yl)methylideneamino]-2-pentylguanidine
CID 135922971
1-[(Z)-1H-indol-3-ylmethylideneamino]-2-phenylguanidine
CID 136864979

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-(5-hydroxy-1H-indol-3-yl)methylideneamino]-2-(3-phenylpropyl)guanidine?
The IUPAC name of 1-[(E)-(5-hydroxy-1H-indol-3-yl)methylideneamino]-2-(3-phenylpropyl)guanidine (CID 135465941) is 1-[(E)-(5-hydroxy-1H-indol-3-yl)methylideneamino]-2-(3-phenylpropyl)guanidine.
What is the SMILES notation for 1-[(E)-(5-hydroxy-1H-indol-3-yl)methylideneamino]-2-(3-phenylpropyl)guanidine?
The canonical SMILES for 1-[(E)-(5-hydroxy-1H-indol-3-yl)methylideneamino]-2-(3-phenylpropyl)guanidine is N/C(=N\CCCc1ccccc1)N/N=C/c1c[nH]c2ccc(O)cc12.
What is the InChIKey of 1-[(E)-(5-hydroxy-1H-indol-3-yl)methylideneamino]-2-(3-phenylpropyl)guanidine?
The InChIKey is JKUGOLBAIWHFRT-YDZHTSKRSA-N. The full InChI is InChI=1S/C19H21N5O/c20-19(21-10-4-7-14-5-2-1-3-6-14)24-23-13-15-12-22-18-9-8-16(25)11-17(15)18/h1-3,5-6,8-9,11-13,22,25H,4,7,10H2,(H3,20,21,24)/b23-13+.
What are the key properties of 1-[(E)-(5-hydroxy-1H-indol-3-yl)methylideneamino]-2-(3-phenylpropyl)guanidine?
1-[(E)-(5-hydroxy-1H-indol-3-yl)methylideneamino]-2-(3-phenylpropyl)guanidine has a molecular weight of 335.41 g/mol, XLogP of 2.74, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(5-hydroxy-1H-indol-3-yl)methylideneamino]-2-(3-phenylpropyl)guanidine is sourced from PubChem (CID 135465941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).