N-(6-amino-3,3-dimethylhexan-2-ylidene)hydroxylamine

C8H18N2O — CID 139687514

IUPACN-(6-amino-3,3-dimethylhexan-2-ylidene)hydroxylamine
SMILESCC(=NO)C(C)(C)CCCN
InChIInChI=1S/C8H18N2O/c1-7(10-11)8(2,3)5-4-6-9/h11H,4-6,9H2,1-3H3
InChIKeyFPKAQKHPFNUBLJ-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.60
Rot. Bonds4

About N-(6-amino-3,3-dimethylhexan-2-ylidene)hydroxylamine

N-(6-amino-3,3-dimethylhexan-2-ylidene)hydroxylamine (PubChem CID 139687514) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is N-(6-amino-3,3-dimethylhexan-2-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(6-amino-3,3-dimethylhexan-2-ylidene)hydroxylamine
PubChem CID139687514
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC NameN-(6-amino-3,3-dimethylhexan-2-ylidene)hydroxylamine
SMILESCC(=NO)C(C)(C)CCCN
InChIInChI=1S/C8H18N2O/c1-7(10-11)8(2,3)5-4-6-9/h11H,4-6,9H2,1-3H3
InChIKeyFPKAQKHPFNUBLJ-UHFFFAOYSA-N
XLogP1.60
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(6-amino-3,3-dimethylhexan-2-ylidene)hydroxylamine?
The IUPAC name of N-(6-amino-3,3-dimethylhexan-2-ylidene)hydroxylamine (CID 139687514) is N-(6-amino-3,3-dimethylhexan-2-ylidene)hydroxylamine.
What is the SMILES notation for N-(6-amino-3,3-dimethylhexan-2-ylidene)hydroxylamine?
The canonical SMILES for N-(6-amino-3,3-dimethylhexan-2-ylidene)hydroxylamine is CC(=NO)C(C)(C)CCCN.
What is the InChIKey of N-(6-amino-3,3-dimethylhexan-2-ylidene)hydroxylamine?
The InChIKey is FPKAQKHPFNUBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-7(10-11)8(2,3)5-4-6-9/h11H,4-6,9H2,1-3H3.
What are the key properties of N-(6-amino-3,3-dimethylhexan-2-ylidene)hydroxylamine?
N-(6-amino-3,3-dimethylhexan-2-ylidene)hydroxylamine has a molecular weight of 158.24 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-3,3-dimethylhexan-2-ylidene)hydroxylamine is sourced from PubChem (CID 139687514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).