(NE)-N-[1-[bis[(2E)-2-hydroxyiminopropyl]amino]propan-2-ylidene]hydroxylamine

C9H18N4O3 — CID 11224195

IUPAC(NE)-N-[1-[bis[(2E)-2-hydroxyiminopropyl]amino]propan-2-ylidene]hydroxylamine
SMILESC/C(CN(C/C(C)=N/O)C/C(C)=N/O)=N\O
InChIInChI=1S/C9H18N4O3/c1-7(10-14)4-13(5-8(2)11-15)6-9(3)12-16/h14-16H,4-6H2,1-3H3/b10-7+,11-8+,12-9+
InChIKeyWDZSXXYWKLTBDX-SRDSWEMOSA-N
MW230.27 g/mol
LogP0.84
Rot. Bonds6

About (NE)-N-[1-[bis[(2E)-2-hydroxyiminopropyl]amino]propan-2-ylidene]hydroxylamine

(NE)-N-[1-[bis[(2E)-2-hydroxyiminopropyl]amino]propan-2-ylidene]hydroxylamine (PubChem CID 11224195) has the molecular formula C9H18N4O3 and a molecular weight of 230.27 g/mol. Its IUPAC name is (NE)-N-[1-[bis[(2E)-2-hydroxyiminopropyl]amino]propan-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-[bis[(2E)-2-hydroxyiminopropyl]amino]propan-2-ylidene]hydroxylamine
PubChem CID11224195
Molecular FormulaC9H18N4O3
Molecular Weight230.27 g/mol
Exact Mass230.14
IUPAC Name(NE)-N-[1-[bis[(2E)-2-hydroxyiminopropyl]amino]propan-2-ylidene]hydroxylamine
SMILESC/C(CN(C/C(C)=N/O)C/C(C)=N/O)=N\O
InChIInChI=1S/C9H18N4O3/c1-7(10-14)4-13(5-8(2)11-15)6-9(3)12-16/h14-16H,4-6H2,1-3H3/b10-7+,11-8+,12-9+
InChIKeyWDZSXXYWKLTBDX-SRDSWEMOSA-N
XLogP0.84
TPSA101.01 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-[bis[(2E)-2-hydroxyiminopropyl]amino]propan-2-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-[bis[(2E)-2-hydroxyiminopropyl]amino]propan-2-ylidene]hydroxylamine (CID 11224195) is (NE)-N-[1-[bis[(2E)-2-hydroxyiminopropyl]amino]propan-2-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-[bis[(2E)-2-hydroxyiminopropyl]amino]propan-2-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-[bis[(2E)-2-hydroxyiminopropyl]amino]propan-2-ylidene]hydroxylamine is C/C(CN(C/C(C)=N/O)C/C(C)=N/O)=N\O.
What is the InChIKey of (NE)-N-[1-[bis[(2E)-2-hydroxyiminopropyl]amino]propan-2-ylidene]hydroxylamine?
The InChIKey is WDZSXXYWKLTBDX-SRDSWEMOSA-N. The full InChI is InChI=1S/C9H18N4O3/c1-7(10-14)4-13(5-8(2)11-15)6-9(3)12-16/h14-16H,4-6H2,1-3H3/b10-7+,11-8+,12-9+.
What are the key properties of (NE)-N-[1-[bis[(2E)-2-hydroxyiminopropyl]amino]propan-2-ylidene]hydroxylamine?
(NE)-N-[1-[bis[(2E)-2-hydroxyiminopropyl]amino]propan-2-ylidene]hydroxylamine has a molecular weight of 230.27 g/mol, XLogP of 0.84, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-[bis[(2E)-2-hydroxyiminopropyl]amino]propan-2-ylidene]hydroxylamine is sourced from PubChem (CID 11224195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).