(NZ)-N-(5-ethyl-2,3,3-trimethylhept-1-en-4-ylidene)hydroxylamine

C12H23NO — CID 155125097

IUPAC(NZ)-N-(5-ethyl-2,3,3-trimethylhept-1-en-4-ylidene)hydroxylamine
SMILESC=C(C)C(C)(C)/C(=N\O)C(CC)CC
InChIInChI=1S/C12H23NO/c1-7-10(8-2)11(13-14)12(5,6)9(3)4/h10,14H,3,7-8H2,1-2,4-6H3/b13-11-
InChIKeySRBGZKKBGSMRDR-QBFSEMIESA-N
MW197.32 g/mol
LogP3.86
Rot. Bonds5

About (NZ)-N-(5-ethyl-2,3,3-trimethylhept-1-en-4-ylidene)hydroxylamine

(NZ)-N-(5-ethyl-2,3,3-trimethylhept-1-en-4-ylidene)hydroxylamine (PubChem CID 155125097) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (NZ)-N-(5-ethyl-2,3,3-trimethylhept-1-en-4-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-(5-ethyl-2,3,3-trimethylhept-1-en-4-ylidene)hydroxylamine
PubChem CID155125097
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(NZ)-N-(5-ethyl-2,3,3-trimethylhept-1-en-4-ylidene)hydroxylamine
SMILESC=C(C)C(C)(C)/C(=N\O)C(CC)CC
InChIInChI=1S/C12H23NO/c1-7-10(8-2)11(13-14)12(5,6)9(3)4/h10,14H,3,7-8H2,1-2,4-6H3/b13-11-
InChIKeySRBGZKKBGSMRDR-QBFSEMIESA-N
XLogP3.86
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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 (NZ)-N-(5-ethyl-2,3,3-trimethylhept-1-en-4-ylidene)hydroxylamine?
The IUPAC name of (NZ)-N-(5-ethyl-2,3,3-trimethylhept-1-en-4-ylidene)hydroxylamine (CID 155125097) is (NZ)-N-(5-ethyl-2,3,3-trimethylhept-1-en-4-ylidene)hydroxylamine.
What is the SMILES notation for (NZ)-N-(5-ethyl-2,3,3-trimethylhept-1-en-4-ylidene)hydroxylamine?
The canonical SMILES for (NZ)-N-(5-ethyl-2,3,3-trimethylhept-1-en-4-ylidene)hydroxylamine is C=C(C)C(C)(C)/C(=N\O)C(CC)CC.
What is the InChIKey of (NZ)-N-(5-ethyl-2,3,3-trimethylhept-1-en-4-ylidene)hydroxylamine?
The InChIKey is SRBGZKKBGSMRDR-QBFSEMIESA-N. The full InChI is InChI=1S/C12H23NO/c1-7-10(8-2)11(13-14)12(5,6)9(3)4/h10,14H,3,7-8H2,1-2,4-6H3/b13-11-.
What are the key properties of (NZ)-N-(5-ethyl-2,3,3-trimethylhept-1-en-4-ylidene)hydroxylamine?
(NZ)-N-(5-ethyl-2,3,3-trimethylhept-1-en-4-ylidene)hydroxylamine has a molecular weight of 197.32 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(5-ethyl-2,3,3-trimethylhept-1-en-4-ylidene)hydroxylamine is sourced from PubChem (CID 155125097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).