N-[(3E)-2-amino-4-(ethylideneamino)penta-1,3-dien-3-yl]-N'-ethylmethanimidamide

C10H18N4 — CID 134254176

IUPACN-[(3E)-2-amino-4-(ethylideneamino)penta-1,3-dien-3-yl]-N'-ethylmethanimidamide
SMILESC=C(N)/C(N/C=N/CC)=C(C)\N=C\C
InChIInChI=1S/C10H18N4/c1-5-12-7-14-10(8(3)11)9(4)13-6-2/h6-7H,3,5,11H2,1-2,4H3,(H,12,14)/b10-9+,13-6+
InChIKeyJOWQSRUTQGQXRC-SLJQOXHMSA-N
MW194.28 g/mol
LogP1.42
Rot. Bonds5

About N-[(3E)-2-amino-4-(ethylideneamino)penta-1,3-dien-3-yl]-N'-ethylmethanimidamide

N-[(3E)-2-amino-4-(ethylideneamino)penta-1,3-dien-3-yl]-N'-ethylmethanimidamide (PubChem CID 134254176) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is N-[(3E)-2-amino-4-(ethylideneamino)penta-1,3-dien-3-yl]-N'-ethylmethanimidamide.

Molecular Properties

Compound NameN-[(3E)-2-amino-4-(ethylideneamino)penta-1,3-dien-3-yl]-N'-ethylmethanimidamide
PubChem CID134254176
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC NameN-[(3E)-2-amino-4-(ethylideneamino)penta-1,3-dien-3-yl]-N'-ethylmethanimidamide
SMILESC=C(N)/C(N/C=N/CC)=C(C)\N=C\C
InChIInChI=1S/C10H18N4/c1-5-12-7-14-10(8(3)11)9(4)13-6-2/h6-7H,3,5,11H2,1-2,4H3,(H,12,14)/b10-9+,13-6+
InChIKeyJOWQSRUTQGQXRC-SLJQOXHMSA-N
XLogP1.42
TPSA62.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3E)-2-amino-4-(ethylideneamino)penta-1,3-dien-3-yl]-N'-ethylmethanimidamide?
The IUPAC name of N-[(3E)-2-amino-4-(ethylideneamino)penta-1,3-dien-3-yl]-N'-ethylmethanimidamide (CID 134254176) is N-[(3E)-2-amino-4-(ethylideneamino)penta-1,3-dien-3-yl]-N'-ethylmethanimidamide.
What is the SMILES notation for N-[(3E)-2-amino-4-(ethylideneamino)penta-1,3-dien-3-yl]-N'-ethylmethanimidamide?
The canonical SMILES for N-[(3E)-2-amino-4-(ethylideneamino)penta-1,3-dien-3-yl]-N'-ethylmethanimidamide is C=C(N)/C(N/C=N/CC)=C(C)\N=C\C.
What is the InChIKey of N-[(3E)-2-amino-4-(ethylideneamino)penta-1,3-dien-3-yl]-N'-ethylmethanimidamide?
The InChIKey is JOWQSRUTQGQXRC-SLJQOXHMSA-N. The full InChI is InChI=1S/C10H18N4/c1-5-12-7-14-10(8(3)11)9(4)13-6-2/h6-7H,3,5,11H2,1-2,4H3,(H,12,14)/b10-9+,13-6+.
What are the key properties of N-[(3E)-2-amino-4-(ethylideneamino)penta-1,3-dien-3-yl]-N'-ethylmethanimidamide?
N-[(3E)-2-amino-4-(ethylideneamino)penta-1,3-dien-3-yl]-N'-ethylmethanimidamide has a molecular weight of 194.28 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E)-2-amino-4-(ethylideneamino)penta-1,3-dien-3-yl]-N'-ethylmethanimidamide is sourced from PubChem (CID 134254176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).