(2Z)-3-amino-N'-[amino(2-hydroxyethyl)amino]-2-[(Z)-prop-1-enyl]penta-2,4-dienimidamide

C10H19N5O — CID 142467987

IUPAC(2Z)-3-amino-N'-[amino(2-hydroxyethyl)amino]-2-[(Z)-prop-1-enyl]penta-2,4-dienimidamide
SMILESC=C/C(N)=C(\C=C/C)C(/N)=N/N(N)CCO
InChIInChI=1S/C10H19N5O/c1-3-5-8(9(11)4-2)10(12)14-15(13)6-7-16/h3-5,16H,2,6-7,11,13H2,1H3,(H2,12,14)/b5-3-,9-8-
InChIKeyFQRYOLVQIXECAZ-MLBMHQFOSA-N
MW225.30 g/mol
LogP-0.60
Rot. Bonds6

About (2Z)-3-amino-N'-[amino(2-hydroxyethyl)amino]-2-[(Z)-prop-1-enyl]penta-2,4-dienimidamide

(2Z)-3-amino-N'-[amino(2-hydroxyethyl)amino]-2-[(Z)-prop-1-enyl]penta-2,4-dienimidamide (PubChem CID 142467987) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is (2Z)-3-amino-N'-[amino(2-hydroxyethyl)amino]-2-[(Z)-prop-1-enyl]penta-2,4-dienimidamide.

Molecular Properties

Compound Name(2Z)-3-amino-N'-[amino(2-hydroxyethyl)amino]-2-[(Z)-prop-1-enyl]penta-2,4-dienimidamide
PubChem CID142467987
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC Name(2Z)-3-amino-N'-[amino(2-hydroxyethyl)amino]-2-[(Z)-prop-1-enyl]penta-2,4-dienimidamide
SMILESC=C/C(N)=C(\C=C/C)C(/N)=N/N(N)CCO
InChIInChI=1S/C10H19N5O/c1-3-5-8(9(11)4-2)10(12)14-15(13)6-7-16/h3-5,16H,2,6-7,11,13H2,1H3,(H2,12,14)/b5-3-,9-8-
InChIKeyFQRYOLVQIXECAZ-MLBMHQFOSA-N
XLogP-0.60
TPSA113.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 5-0.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3Z,5Z)-4-prop-1-en-2-ylhepta-1,3,5-trien-3-amine
CID 155176361
(3Z,5Z)-4-(N-methyl-C-propan-2-ylcarbonimidoyl)hepta-1,3,5-trien-3-amine
CID 178050407
(2Z,4E,6Z)-5-ethenylocta-2,4,6-trien-4-amine
CID 170027215
(3Z,5Z)-3-N-ethyl-3-N-methylhepta-1,3,5-triene-3,4-diamine
CID 142864476
(2Z)-3-amino-2-[(Z)-prop-1-enyl]penta-2,4-dienenitrile
CID 142139467
(3Z,5E,6Z)-4-ethenyl-5-ethylidenenona-1,3,6,8-tetraen-3-amine
CID 134224473
(E)-N'-aminobut-2-enimidamide
CID 142083872
(E)-but-2-enoic acid;3-hydroxypropyl prop-2-enoate
CID 158764825
(4Z)-5-amino-4-ethenylhepta-4,6-dien-3-one
CID 156794356
(3E)-4-(propan-2-ylideneamino)penta-1,3-dien-3-amine
CID 146327197
(2E,5Z,6Z)-2-amino-3-ethenyl-5-ethylidene-N'-methylocta-2,6-dienimidamide
CID 126676681
(E)-but-2-enoic acid;2-[butyl(2-hydroxyethyl)amino]ethanol
CID 173031505

Frequently Asked Questions

What is the IUPAC name of (2Z)-3-amino-N'-[amino(2-hydroxyethyl)amino]-2-[(Z)-prop-1-enyl]penta-2,4-dienimidamide?
The IUPAC name of (2Z)-3-amino-N'-[amino(2-hydroxyethyl)amino]-2-[(Z)-prop-1-enyl]penta-2,4-dienimidamide (CID 142467987) is (2Z)-3-amino-N'-[amino(2-hydroxyethyl)amino]-2-[(Z)-prop-1-enyl]penta-2,4-dienimidamide.
What is the SMILES notation for (2Z)-3-amino-N'-[amino(2-hydroxyethyl)amino]-2-[(Z)-prop-1-enyl]penta-2,4-dienimidamide?
The canonical SMILES for (2Z)-3-amino-N'-[amino(2-hydroxyethyl)amino]-2-[(Z)-prop-1-enyl]penta-2,4-dienimidamide is C=C/C(N)=C(\C=C/C)C(/N)=N/N(N)CCO.
What is the InChIKey of (2Z)-3-amino-N'-[amino(2-hydroxyethyl)amino]-2-[(Z)-prop-1-enyl]penta-2,4-dienimidamide?
The InChIKey is FQRYOLVQIXECAZ-MLBMHQFOSA-N. The full InChI is InChI=1S/C10H19N5O/c1-3-5-8(9(11)4-2)10(12)14-15(13)6-7-16/h3-5,16H,2,6-7,11,13H2,1H3,(H2,12,14)/b5-3-,9-8-.
What are the key properties of (2Z)-3-amino-N'-[amino(2-hydroxyethyl)amino]-2-[(Z)-prop-1-enyl]penta-2,4-dienimidamide?
(2Z)-3-amino-N'-[amino(2-hydroxyethyl)amino]-2-[(Z)-prop-1-enyl]penta-2,4-dienimidamide has a molecular weight of 225.30 g/mol, XLogP of -0.60, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-amino-N'-[amino(2-hydroxyethyl)amino]-2-[(Z)-prop-1-enyl]penta-2,4-dienimidamide is sourced from PubChem (CID 142467987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).