N-[(Z)-3-amino-5-methyliminopent-3-en-2-yl]hydroxylamine

C6H13N3O — CID 168886817

IUPACN-[(Z)-3-amino-5-methyliminopent-3-en-2-yl]hydroxylamine
SMILESC/N=C/C=C(\N)C(C)NO
InChIInChI=1S/C6H13N3O/c1-5(9-10)6(7)3-4-8-2/h3-5,9-10H,7H2,1-2H3/b6-3-,8-4+
InChIKeyIKRSRXJLTDHTBL-TTZRGRENSA-N
MW143.19 g/mol
LogP-0.10
Rot. Bonds3

About N-[(Z)-3-amino-5-methyliminopent-3-en-2-yl]hydroxylamine

N-[(Z)-3-amino-5-methyliminopent-3-en-2-yl]hydroxylamine (PubChem CID 168886817) has the molecular formula C6H13N3O and a molecular weight of 143.19 g/mol. Its IUPAC name is N-[(Z)-3-amino-5-methyliminopent-3-en-2-yl]hydroxylamine.

Molecular Properties

Compound NameN-[(Z)-3-amino-5-methyliminopent-3-en-2-yl]hydroxylamine
PubChem CID168886817
Molecular FormulaC6H13N3O
Molecular Weight143.19 g/mol
Exact Mass143.11
IUPAC NameN-[(Z)-3-amino-5-methyliminopent-3-en-2-yl]hydroxylamine
SMILESC/N=C/C=C(\N)C(C)NO
InChIInChI=1S/C6H13N3O/c1-5(9-10)6(7)3-4-8-2/h3-5,9-10H,7H2,1-2H3/b6-3-,8-4+
InChIKeyIKRSRXJLTDHTBL-TTZRGRENSA-N
XLogP-0.10
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2Z)-3-hydrazinyl-N,5-dimethylhexa-2,4-dien-1-imine
CID 163245039
3-amino-2-methyl-N-[(Z)-4-methyliminobut-2-en-2-yl]but-2-enimidamide
CID 176533884
(E)-but-2-ene;ethane;(2Z)-3-hydrazinyl-N,5-dimethylhexa-2,4-dien-1-imine
CID 163245038
4,4-dimethyl-1-methyliminopent-2-en-3-amine
CID 163879852
(Z)-1-methyliminopent-2-en-3-amine
CID 129017150
2-(hydroxyamino)propanamide
CID 12611671
N,3-dimethylbut-2-en-1-imine;propane
CID 163403492
(2Z)-N,3,4-trimethylpenta-2,4-dien-1-imine
CID 143116223
(2Z,4E)-N,3,5-trimethylhepta-2,4-dien-1-imine
CID 170225424
(2E,4E,6Z)-N,3,4-trimethylocta-2,4,6-trien-1-imine
CID 166983281
2-[[(E)-4-methyliminobut-2-en-2-yl]amino]ethanol
CID 90248428
(E,2E)-3-[[(1E,3Z)-1,4-diamino-2-methylbuta-1,3-dienyl]amino]-2-(hydroxymethylidene)-5-methyliminopent-3-enal
CID 171622631

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-amino-5-methyliminopent-3-en-2-yl]hydroxylamine?
The IUPAC name of N-[(Z)-3-amino-5-methyliminopent-3-en-2-yl]hydroxylamine (CID 168886817) is N-[(Z)-3-amino-5-methyliminopent-3-en-2-yl]hydroxylamine.
What is the SMILES notation for N-[(Z)-3-amino-5-methyliminopent-3-en-2-yl]hydroxylamine?
The canonical SMILES for N-[(Z)-3-amino-5-methyliminopent-3-en-2-yl]hydroxylamine is C/N=C/C=C(\N)C(C)NO.
What is the InChIKey of N-[(Z)-3-amino-5-methyliminopent-3-en-2-yl]hydroxylamine?
The InChIKey is IKRSRXJLTDHTBL-TTZRGRENSA-N. The full InChI is InChI=1S/C6H13N3O/c1-5(9-10)6(7)3-4-8-2/h3-5,9-10H,7H2,1-2H3/b6-3-,8-4+.
What are the key properties of N-[(Z)-3-amino-5-methyliminopent-3-en-2-yl]hydroxylamine?
N-[(Z)-3-amino-5-methyliminopent-3-en-2-yl]hydroxylamine has a molecular weight of 143.19 g/mol, XLogP of -0.10, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-amino-5-methyliminopent-3-en-2-yl]hydroxylamine is sourced from PubChem (CID 168886817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).