(NE)-N-(3,3-diethylpentan-2-ylidene)hydroxylamine

C9H19NO — CID 12754219

IUPAC(NE)-N-(3,3-diethylpentan-2-ylidene)hydroxylamine
SMILESCCC(CC)(CC)/C(C)=N/O
InChIInChI=1S/C9H19NO/c1-5-9(6-2,7-3)8(4)10-11/h11H,5-7H2,1-4H3/b10-8+
InChIKeyRXRQIFBCMBZMHG-CSKARUKUSA-N
MW157.26 g/mol
LogP3.05
Rot. Bonds4

About (NE)-N-(3,3-diethylpentan-2-ylidene)hydroxylamine

(NE)-N-(3,3-diethylpentan-2-ylidene)hydroxylamine (PubChem CID 12754219) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (NE)-N-(3,3-diethylpentan-2-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(3,3-diethylpentan-2-ylidene)hydroxylamine
PubChem CID12754219
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(NE)-N-(3,3-diethylpentan-2-ylidene)hydroxylamine
SMILESCCC(CC)(CC)/C(C)=N/O
InChIInChI=1S/C9H19NO/c1-5-9(6-2,7-3)8(4)10-11/h11H,5-7H2,1-4H3/b10-8+
InChIKeyRXRQIFBCMBZMHG-CSKARUKUSA-N
XLogP3.05
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(3,3-diethylpentan-2-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(3,3-diethylpentan-2-ylidene)hydroxylamine (CID 12754219) is (NE)-N-(3,3-diethylpentan-2-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(3,3-diethylpentan-2-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(3,3-diethylpentan-2-ylidene)hydroxylamine is CCC(CC)(CC)/C(C)=N/O.
What is the InChIKey of (NE)-N-(3,3-diethylpentan-2-ylidene)hydroxylamine?
The InChIKey is RXRQIFBCMBZMHG-CSKARUKUSA-N. The full InChI is InChI=1S/C9H19NO/c1-5-9(6-2,7-3)8(4)10-11/h11H,5-7H2,1-4H3/b10-8+.
What are the key properties of (NE)-N-(3,3-diethylpentan-2-ylidene)hydroxylamine?
(NE)-N-(3,3-diethylpentan-2-ylidene)hydroxylamine has a molecular weight of 157.26 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(3,3-diethylpentan-2-ylidene)hydroxylamine is sourced from PubChem (CID 12754219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).