N-[3-[(2-amino-2-methylpropyl)amino]butan-2-ylidene]hydroxylamine

C8H19N3O — CID 6850066

IUPACN-[3-[(2-amino-2-methylpropyl)amino]butan-2-ylidene]hydroxylamine
SMILESCC(=NO)C(C)NCC(C)(C)N
InChIInChI=1S/C8H19N3O/c1-6(7(2)11-12)10-5-8(3,4)9/h6,10,12H,5,9H2,1-4H3
InChIKeyRKVHQGOZFBEBPA-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.55
Rot. Bonds4

About N-[3-[(2-amino-2-methylpropyl)amino]butan-2-ylidene]hydroxylamine

N-[3-[(2-amino-2-methylpropyl)amino]butan-2-ylidene]hydroxylamine (PubChem CID 6850066) has the molecular formula C8H19N3O and a molecular weight of 173.26 g/mol. Its IUPAC name is N-[3-[(2-amino-2-methylpropyl)amino]butan-2-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[3-[(2-amino-2-methylpropyl)amino]butan-2-ylidene]hydroxylamine
PubChem CID6850066
Molecular FormulaC8H19N3O
Molecular Weight173.26 g/mol
Exact Mass173.15
IUPAC NameN-[3-[(2-amino-2-methylpropyl)amino]butan-2-ylidene]hydroxylamine
SMILESCC(=NO)C(C)NCC(C)(C)N
InChIInChI=1S/C8H19N3O/c1-6(7(2)11-12)10-5-8(3,4)9/h6,10,12H,5,9H2,1-4H3
InChIKeyRKVHQGOZFBEBPA-UHFFFAOYSA-N
XLogP0.55
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 N-[3-[(2-amino-2-methylpropyl)amino]butan-2-ylidene]hydroxylamine?
The IUPAC name of N-[3-[(2-amino-2-methylpropyl)amino]butan-2-ylidene]hydroxylamine (CID 6850066) is N-[3-[(2-amino-2-methylpropyl)amino]butan-2-ylidene]hydroxylamine.
What is the SMILES notation for N-[3-[(2-amino-2-methylpropyl)amino]butan-2-ylidene]hydroxylamine?
The canonical SMILES for N-[3-[(2-amino-2-methylpropyl)amino]butan-2-ylidene]hydroxylamine is CC(=NO)C(C)NCC(C)(C)N.
What is the InChIKey of N-[3-[(2-amino-2-methylpropyl)amino]butan-2-ylidene]hydroxylamine?
The InChIKey is RKVHQGOZFBEBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O/c1-6(7(2)11-12)10-5-8(3,4)9/h6,10,12H,5,9H2,1-4H3.
What are the key properties of N-[3-[(2-amino-2-methylpropyl)amino]butan-2-ylidene]hydroxylamine?
N-[3-[(2-amino-2-methylpropyl)amino]butan-2-ylidene]hydroxylamine has a molecular weight of 173.26 g/mol, XLogP of 0.55, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-amino-2-methylpropyl)amino]butan-2-ylidene]hydroxylamine is sourced from PubChem (CID 6850066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).