N'-[2-(aminomethylideneamino)ethyl]-4-propoxybenzenecarboximidamide;ethane

C15H26N4O — CID 145384939

IUPACN'-[2-(aminomethylideneamino)ethyl]-4-propoxybenzenecarboximidamide;ethane
SMILESCC.CCCOc1ccc(/C(N)=N/CC/N=C/N)cc1
InChIInChI=1S/C13H20N4O.C2H6/c1-2-9-18-12-5-3-11(4-6-12)13(15)17-8-7-16-10-14;1-2/h3-6,10H,2,7-9H2,1H3,(H2,14,16)(H2,15,17);1-2H3
InChIKeyZBZXLSRTBRCWJN-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.19
Rot. Bonds7

About N'-[2-(aminomethylideneamino)ethyl]-4-propoxybenzenecarboximidamide;ethane

N'-[2-(aminomethylideneamino)ethyl]-4-propoxybenzenecarboximidamide;ethane (PubChem CID 145384939) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N'-[2-(aminomethylideneamino)ethyl]-4-propoxybenzenecarboximidamide;ethane.

Molecular Properties

Compound NameN'-[2-(aminomethylideneamino)ethyl]-4-propoxybenzenecarboximidamide;ethane
PubChem CID145384939
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN'-[2-(aminomethylideneamino)ethyl]-4-propoxybenzenecarboximidamide;ethane
SMILESCC.CCCOc1ccc(/C(N)=N/CC/N=C/N)cc1
InChIInChI=1S/C13H20N4O.C2H6/c1-2-9-18-12-5-3-11(4-6-12)13(15)17-8-7-16-10-14;1-2/h3-6,10H,2,7-9H2,1H3,(H2,14,16)(H2,15,17);1-2H3
InChIKeyZBZXLSRTBRCWJN-UHFFFAOYSA-N
XLogP2.19
TPSA85.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.19
H-Bond Donors ≤ 52
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

4-butoxy-N'-hydroxybenzenecarboximidamide
CID 2255598
4-(4-propoxyphenyl)benzamide
CID 23771495
N'-(3-methylbutyl)-4-[5-[4-[N'-(3-methylbutyl)carbamimidoyl]phenoxy]pentoxy]benzenecarboximidamide;hydrochloride
CID 44531498
4-phenylmethoxy-N'-propylbenzenecarboximidamide
CID 57153315
4-butoxybenzenecarboximidamide
CID 3015454
4-[(4-propoxyphenoxy)methyl]benzamide
CID 24605968
N'-hydroxy-4-[3-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]propoxy]benzenecarboximidamide
CID 5480201
O-ethyl 4-propoxybenzenecarbothioate
CID 131848958
4-[6-[3,5-bis[6-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]hexoxy]phenoxy]hexoxy]-N'-hydroxybenzenecarboximidamide;ethane
CID 142380100
N'-hydroxy-4-(2-pentoxyethoxy)benzenecarboximidamide
CID 61299054
[1-(4-propoxyphenyl)ethylideneamino]thiourea
CID 4529421
[(E)-(4-propoxyphenyl)methylideneamino]thiourea
CID 6881283

Frequently Asked Questions

What is the IUPAC name of N'-[2-(aminomethylideneamino)ethyl]-4-propoxybenzenecarboximidamide;ethane?
The IUPAC name of N'-[2-(aminomethylideneamino)ethyl]-4-propoxybenzenecarboximidamide;ethane (CID 145384939) is N'-[2-(aminomethylideneamino)ethyl]-4-propoxybenzenecarboximidamide;ethane.
What is the SMILES notation for N'-[2-(aminomethylideneamino)ethyl]-4-propoxybenzenecarboximidamide;ethane?
The canonical SMILES for N'-[2-(aminomethylideneamino)ethyl]-4-propoxybenzenecarboximidamide;ethane is CC.CCCOc1ccc(/C(N)=N/CC/N=C/N)cc1.
What is the InChIKey of N'-[2-(aminomethylideneamino)ethyl]-4-propoxybenzenecarboximidamide;ethane?
The InChIKey is ZBZXLSRTBRCWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O.C2H6/c1-2-9-18-12-5-3-11(4-6-12)13(15)17-8-7-16-10-14;1-2/h3-6,10H,2,7-9H2,1H3,(H2,14,16)(H2,15,17);1-2H3.
What are the key properties of N'-[2-(aminomethylideneamino)ethyl]-4-propoxybenzenecarboximidamide;ethane?
N'-[2-(aminomethylideneamino)ethyl]-4-propoxybenzenecarboximidamide;ethane has a molecular weight of 278.40 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(aminomethylideneamino)ethyl]-4-propoxybenzenecarboximidamide;ethane is sourced from PubChem (CID 145384939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).