(5-methoxy-1H-indol-3-yl)methanimine;2-pentylguanidine

C16H25N5O — CID 142314543

IUPAC(5-methoxy-1H-indol-3-yl)methanimine;2-pentylguanidine
SMILESCCCCCN=C(N)N.[H]/N=C/c1c[nH]c2ccc(OC)cc12
InChIInChI=1S/C10H10N2O.C6H15N3/c1-13-8-2-3-10-9(4-8)7(5-11)6-12-10;1-2-3-4-5-9-6(7)8/h2-6,11-12H,1H3;2-5H2,1H3,(H4,7,8,9)/b11-5+;
InChIKeySDJWLISPQFBYHH-HMXKFKBXSA-N
MW303.41 g/mol
LogP2.62
Rot. Bonds6

About (5-methoxy-1H-indol-3-yl)methanimine;2-pentylguanidine

(5-methoxy-1H-indol-3-yl)methanimine;2-pentylguanidine (PubChem CID 142314543) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is (5-methoxy-1H-indol-3-yl)methanimine;2-pentylguanidine.

Molecular Properties

Compound Name(5-methoxy-1H-indol-3-yl)methanimine;2-pentylguanidine
PubChem CID142314543
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name(5-methoxy-1H-indol-3-yl)methanimine;2-pentylguanidine
SMILESCCCCCN=C(N)N.[H]/N=C/c1c[nH]c2ccc(OC)cc12
InChIInChI=1S/C10H10N2O.C6H15N3/c1-13-8-2-3-10-9(4-8)7(5-11)6-12-10;1-2-3-4-5-9-6(7)8/h2-6,11-12H,1H3;2-5H2,1H3,(H4,7,8,9)/b11-5+;
InChIKeySDJWLISPQFBYHH-HMXKFKBXSA-N
XLogP2.62
TPSA113.27 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.62
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'}

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Related Compounds

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
1-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]-1-pentylguanidine
CID 136623697
(E)-but-2-enedioic acid;1-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]-2-pentylguanidine;hydrobromide
CID 143321435
heptanedioic acid;1-[(Z)-(5-methoxy-1H-indol-3-yl)methylideneamino]-2-pentylguanidine
CID 135870813
2-hydroxypropane-1,2,3-tricarboxylic acid;1-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]-2-pentylguanidine
CID 135922861
2-hydroxybutanedioic acid;1-[(Z)-(5-methoxy-1H-indol-3-yl)methylideneamino]-2-pentylguanidine
CID 135922863
but-2-enedioic acid;1-[(5-methoxy-1H-indol-3-yl)methylimino]-2-pentylguanidine
CID 170919772
2-hydroxypropane-1,2,3-tricarboxylic acid;1-[(Z)-(5-methoxy-1H-indol-3-yl)methylideneamino]-2-pentylguanidine;hydrate
CID 135922973
5-[[amino-[2-[(5-methoxy-1H-indol-3-yl)methylidene]hydrazinyl]methylidene]amino]pentanoic acid
CID 136647326
(Z)-but-2-enedioate;1-[(Z)-(5-methoxy-1H-indol-3-yl)methylideneamino]-1-pentylguanidine
CID 135797835
2-pentyl-1-[(E)-(5-propan-2-yloxy-1H-indol-3-yl)methylideneamino]guanidine
CID 135464159

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-1H-indol-3-yl)methanimine;2-pentylguanidine?
The IUPAC name of (5-methoxy-1H-indol-3-yl)methanimine;2-pentylguanidine (CID 142314543) is (5-methoxy-1H-indol-3-yl)methanimine;2-pentylguanidine.
What is the SMILES notation for (5-methoxy-1H-indol-3-yl)methanimine;2-pentylguanidine?
The canonical SMILES for (5-methoxy-1H-indol-3-yl)methanimine;2-pentylguanidine is CCCCCN=C(N)N.[H]/N=C/c1c[nH]c2ccc(OC)cc12.
What is the InChIKey of (5-methoxy-1H-indol-3-yl)methanimine;2-pentylguanidine?
The InChIKey is SDJWLISPQFBYHH-HMXKFKBXSA-N. The full InChI is InChI=1S/C10H10N2O.C6H15N3/c1-13-8-2-3-10-9(4-8)7(5-11)6-12-10;1-2-3-4-5-9-6(7)8/h2-6,11-12H,1H3;2-5H2,1H3,(H4,7,8,9)/b11-5+;.
What are the key properties of (5-methoxy-1H-indol-3-yl)methanimine;2-pentylguanidine?
(5-methoxy-1H-indol-3-yl)methanimine;2-pentylguanidine has a molecular weight of 303.41 g/mol, XLogP of 2.62, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-1H-indol-3-yl)methanimine;2-pentylguanidine is sourced from PubChem (CID 142314543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).