N'-amino-4-prop-2-ynoxybenzenecarboximidamide

C10H11N3O — CID 155727832

IUPACN'-amino-4-prop-2-ynoxybenzenecarboximidamide
SMILESC#CCOc1ccc(/C(N)=N/N)cc1
InChIInChI=1S/C10H11N3O/c1-2-7-14-9-5-3-8(4-6-9)10(11)13-12/h1,3-6H,7,12H2,(H2,11,13)
InChIKeyNJFUAJUZEDNBSO-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.28
Rot. Bonds3

About N'-amino-4-prop-2-ynoxybenzenecarboximidamide

N'-amino-4-prop-2-ynoxybenzenecarboximidamide (PubChem CID 155727832) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is N'-amino-4-prop-2-ynoxybenzenecarboximidamide.

Molecular Properties

Compound NameN'-amino-4-prop-2-ynoxybenzenecarboximidamide
PubChem CID155727832
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC NameN'-amino-4-prop-2-ynoxybenzenecarboximidamide
SMILESC#CCOc1ccc(/C(N)=N/N)cc1
InChIInChI=1S/C10H11N3O/c1-2-7-14-9-5-3-8(4-6-9)10(11)13-12/h1,3-6H,7,12H2,(H2,11,13)
InChIKeyNJFUAJUZEDNBSO-UHFFFAOYSA-N
XLogP0.28
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-hydroxyimino-2-(4-prop-2-ynoxyphenyl)ethanol
CID 141464535
N'-amino-4-methoxybenzenecarboximidamide
CID 54365169
1-(4-prop-2-ynoxyphenyl)propan-1-one
CID 15328999
(4-hydroxyphenyl)-(4-prop-2-ynoxyphenyl)methanone
CID 46229706
2-methyl-1-(4-prop-2-ynoxyphenyl)propan-1-one
CID 169034886
4-prop-2-ynoxybenzenethiol
CID 155088552
1-ethoxy-4-prop-2-ynoxybenzene
CID 20701293
bis(4-prop-2-ynoxyphenyl)methanol
CID 102483655
(4-prop-2-ynoxyphenyl)boronic acid
CID 119086652
[4-(3-iodopropoxy)phenyl]-(4-prop-2-ynoxyphenyl)methanone
CID 88929462
[4-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]phenyl]-(4-prop-2-ynoxyphenyl)methanone
CID 131801564
2,6-bis(prop-2-ynoxy)naphthalene
CID 12710422

Frequently Asked Questions

What is the IUPAC name of N'-amino-4-prop-2-ynoxybenzenecarboximidamide?
The IUPAC name of N'-amino-4-prop-2-ynoxybenzenecarboximidamide (CID 155727832) is N'-amino-4-prop-2-ynoxybenzenecarboximidamide.
What is the SMILES notation for N'-amino-4-prop-2-ynoxybenzenecarboximidamide?
The canonical SMILES for N'-amino-4-prop-2-ynoxybenzenecarboximidamide is C#CCOc1ccc(/C(N)=N/N)cc1.
What is the InChIKey of N'-amino-4-prop-2-ynoxybenzenecarboximidamide?
The InChIKey is NJFUAJUZEDNBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-2-7-14-9-5-3-8(4-6-9)10(11)13-12/h1,3-6H,7,12H2,(H2,11,13).
What are the key properties of N'-amino-4-prop-2-ynoxybenzenecarboximidamide?
N'-amino-4-prop-2-ynoxybenzenecarboximidamide has a molecular weight of 189.22 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-4-prop-2-ynoxybenzenecarboximidamide is sourced from PubChem (CID 155727832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).