2-[1-(3,4-dipropoxyphenyl)ethylideneamino]guanidine

C15H24N4O2 — CID 76872420

IUPAC2-[1-(3,4-dipropoxyphenyl)ethylideneamino]guanidine
SMILESCCCOc1ccc(C(C)=NN=C(N)N)cc1OCCC
InChIInChI=1S/C15H24N4O2/c1-4-8-20-13-7-6-12(10-14(13)21-9-5-2)11(3)18-19-15(16)17/h6-7,10H,4-5,8-9H2,1-3H3,(H4,16,17,19)
InChIKeyKCMJOJQEZZDNNC-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.26
Rot. Bonds8

About 2-[1-(3,4-dipropoxyphenyl)ethylideneamino]guanidine

2-[1-(3,4-dipropoxyphenyl)ethylideneamino]guanidine (PubChem CID 76872420) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[1-(3,4-dipropoxyphenyl)ethylideneamino]guanidine.

Molecular Properties

Compound Name2-[1-(3,4-dipropoxyphenyl)ethylideneamino]guanidine
PubChem CID76872420
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name2-[1-(3,4-dipropoxyphenyl)ethylideneamino]guanidine
SMILESCCCOc1ccc(C(C)=NN=C(N)N)cc1OCCC
InChIInChI=1S/C15H24N4O2/c1-4-8-20-13-7-6-12(10-14(13)21-9-5-2)11(3)18-19-15(16)17/h6-7,10H,4-5,8-9H2,1-3H3,(H4,16,17,19)
InChIKeyKCMJOJQEZZDNNC-UHFFFAOYSA-N
XLogP2.26
TPSA95.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-(3-ethoxy-4-propoxyphenyl)ethylidenehydrazine
CID 75095312
methane;[(E)-1-(4-methoxy-3-pentoxyphenyl)ethylideneamino] carbamate
CID 143212762
ethyl 4-(2-methoxyethoxy)-3-propoxybenzoate
CID 121423908
3-methoxy-4-propoxybenzenecarboximidamide
CID 24709016
3-amino-1-(3,4-dipropoxyphenyl)butan-1-one
CID 81462222
[(2S)-1-amino-1-oxopropan-2-yl] 3-ethoxy-4-propoxybenzoate
CID 2667445
1-(3,4-dipropoxyphenyl)-3-hydroxyprop-2-en-1-one
CID 28896001
propan-2-yl 3,4-dipropoxybenzoate
CID 82550237
2-[(Z)-(4-butoxy-3-ethoxyphenyl)methylideneamino]guanidine
CID 112538748
2-[(4-butoxy-3-ethoxyphenyl)methylideneamino]guanidine
CID 168590622
3,4-dipropoxybenzenethiol
CID 28939740
2-(3,4-dipropoxybenzoyl)oxyethyl-dimethylazanium chloride
CID 18526676

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dipropoxyphenyl)ethylideneamino]guanidine?
The IUPAC name of 2-[1-(3,4-dipropoxyphenyl)ethylideneamino]guanidine (CID 76872420) is 2-[1-(3,4-dipropoxyphenyl)ethylideneamino]guanidine.
What is the SMILES notation for 2-[1-(3,4-dipropoxyphenyl)ethylideneamino]guanidine?
The canonical SMILES for 2-[1-(3,4-dipropoxyphenyl)ethylideneamino]guanidine is CCCOc1ccc(C(C)=NN=C(N)N)cc1OCCC.
What is the InChIKey of 2-[1-(3,4-dipropoxyphenyl)ethylideneamino]guanidine?
The InChIKey is KCMJOJQEZZDNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-4-8-20-13-7-6-12(10-14(13)21-9-5-2)11(3)18-19-15(16)17/h6-7,10H,4-5,8-9H2,1-3H3,(H4,16,17,19).
What are the key properties of 2-[1-(3,4-dipropoxyphenyl)ethylideneamino]guanidine?
2-[1-(3,4-dipropoxyphenyl)ethylideneamino]guanidine has a molecular weight of 292.38 g/mol, XLogP of 2.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-dipropoxyphenyl)ethylideneamino]guanidine is sourced from PubChem (CID 76872420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).