(NE)-N-[[2-(3,3-dimethylbutyl)cyclopenten-1-yl]methylidene]hydroxylamine

C12H21NO — CID 142575044

IUPAC(NE)-N-[[2-(3,3-dimethylbutyl)cyclopenten-1-yl]methylidene]hydroxylamine
SMILESCC(C)(C)CCC1=C(/C=N/O)CCC1
InChIInChI=1S/C12H21NO/c1-12(2,3)8-7-10-5-4-6-11(10)9-13-14/h9,14H,4-8H2,1-3H3/b13-9+
InChIKeyLOLHWWZMDZIROD-UKTHLTGXSA-N
MW195.31 g/mol
LogP3.75
Rot. Bonds3

About (NE)-N-[[2-(3,3-dimethylbutyl)cyclopenten-1-yl]methylidene]hydroxylamine

(NE)-N-[[2-(3,3-dimethylbutyl)cyclopenten-1-yl]methylidene]hydroxylamine (PubChem CID 142575044) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (NE)-N-[[2-(3,3-dimethylbutyl)cyclopenten-1-yl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[2-(3,3-dimethylbutyl)cyclopenten-1-yl]methylidene]hydroxylamine
PubChem CID142575044
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(NE)-N-[[2-(3,3-dimethylbutyl)cyclopenten-1-yl]methylidene]hydroxylamine
SMILESCC(C)(C)CCC1=C(/C=N/O)CCC1
InChIInChI=1S/C12H21NO/c1-12(2,3)8-7-10-5-4-6-11(10)9-13-14/h9,14H,4-8H2,1-3H3/b13-9+
InChIKeyLOLHWWZMDZIROD-UKTHLTGXSA-N
XLogP3.75
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 53.75
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-[[2-(3,3-dimethylbutyl)cyclopenten-1-yl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[2-(3,3-dimethylbutyl)cyclopenten-1-yl]methylidene]hydroxylamine (CID 142575044) is (NE)-N-[[2-(3,3-dimethylbutyl)cyclopenten-1-yl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[2-(3,3-dimethylbutyl)cyclopenten-1-yl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[2-(3,3-dimethylbutyl)cyclopenten-1-yl]methylidene]hydroxylamine is CC(C)(C)CCC1=C(/C=N/O)CCC1.
What is the InChIKey of (NE)-N-[[2-(3,3-dimethylbutyl)cyclopenten-1-yl]methylidene]hydroxylamine?
The InChIKey is LOLHWWZMDZIROD-UKTHLTGXSA-N. The full InChI is InChI=1S/C12H21NO/c1-12(2,3)8-7-10-5-4-6-11(10)9-13-14/h9,14H,4-8H2,1-3H3/b13-9+.
What are the key properties of (NE)-N-[[2-(3,3-dimethylbutyl)cyclopenten-1-yl]methylidene]hydroxylamine?
(NE)-N-[[2-(3,3-dimethylbutyl)cyclopenten-1-yl]methylidene]hydroxylamine has a molecular weight of 195.31 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[2-(3,3-dimethylbutyl)cyclopenten-1-yl]methylidene]hydroxylamine is sourced from PubChem (CID 142575044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).