N-(3,5-dimethyloctan-4-ylidene)hydroxylamine

C10H21NO — CID 178171758

IUPACN-(3,5-dimethyloctan-4-ylidene)hydroxylamine
SMILESCCCC(C)C(=NO)C(C)CC
InChIInChI=1S/C10H21NO/c1-5-7-9(4)10(11-12)8(3)6-2/h8-9,12H,5-7H2,1-4H3
InChIKeyHWEAIIVRFHGTIQ-UHFFFAOYSA-N
MW171.28 g/mol
LogP3.30
Rot. Bonds5

About N-(3,5-dimethyloctan-4-ylidene)hydroxylamine

N-(3,5-dimethyloctan-4-ylidene)hydroxylamine (PubChem CID 178171758) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N-(3,5-dimethyloctan-4-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(3,5-dimethyloctan-4-ylidene)hydroxylamine
PubChem CID178171758
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN-(3,5-dimethyloctan-4-ylidene)hydroxylamine
SMILESCCCC(C)C(=NO)C(C)CC
InChIInChI=1S/C10H21NO/c1-5-7-9(4)10(11-12)8(3)6-2/h8-9,12H,5-7H2,1-4H3
InChIKeyHWEAIIVRFHGTIQ-UHFFFAOYSA-N
XLogP3.30
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 53.30
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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Related Compounds

N-(3-methylheptan-4-ylidene)hydroxylamine
CID 88758606
N,3-dimethylhexan-2-imine
CID 123371156
(6S)-4,6-dimethylnonan-5-one
CID 177467625
N,2,3,5-tetramethylheptan-4-imine
CID 174244077
(5R,6R,8S)-5,8-diethyl-7-hydroxyiminododecan-6-ol
CID 124934755
1-hydroxy-4-methylheptan-3-one
CID 87401678
(4R)-2,4-dimethylheptan-3-one
CID 6999069
(4R)-4-methylheptan-3-one
CID 12696684
CID 159174397
CID 159174397
(2R)-2-methylpentanoyl chloride
CID 7160703
(3R)-3-methylpent-1-en-2-ol
CID 89203555
N'-hydroxy-3-methylhexanimidamide
CID 76589131

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyloctan-4-ylidene)hydroxylamine?
The IUPAC name of N-(3,5-dimethyloctan-4-ylidene)hydroxylamine (CID 178171758) is N-(3,5-dimethyloctan-4-ylidene)hydroxylamine.
What is the SMILES notation for N-(3,5-dimethyloctan-4-ylidene)hydroxylamine?
The canonical SMILES for N-(3,5-dimethyloctan-4-ylidene)hydroxylamine is CCCC(C)C(=NO)C(C)CC.
What is the InChIKey of N-(3,5-dimethyloctan-4-ylidene)hydroxylamine?
The InChIKey is HWEAIIVRFHGTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-5-7-9(4)10(11-12)8(3)6-2/h8-9,12H,5-7H2,1-4H3.
What are the key properties of N-(3,5-dimethyloctan-4-ylidene)hydroxylamine?
N-(3,5-dimethyloctan-4-ylidene)hydroxylamine has a molecular weight of 171.28 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyloctan-4-ylidene)hydroxylamine is sourced from PubChem (CID 178171758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).