(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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Related Compounds

(NE)-N-(2,3,3,5-tetramethylnon-1-en-4-ylidene)hydroxylamine
CID 142560297
azane;3-ethyl-2-methylpent-1-ene;hydrochloride
CID 175344836
2-ethyl-N-hydroxybutanimidoyl chloride
CID 72760486
(5R,6R,8S)-5,8-diethyl-7-hydroxyiminododecan-6-ol
CID 124934755
N-(1-cyclohexyl-3,3,4-trimethylpent-4-en-2-ylidene)hydroxylamine
CID 155617647
4-ethyl-2-methylhex-1-en-3-one
CID 115780929
3-ethylpent-1-en-2-ylsilane
CID 173047562
3-ethyl-2,7-dimethyloct-1-ene
CID 123570593
3-ethyl-2-methyldodec-1-ene
CID 174845873
(NE)-N-(1-cyclohexyl-2,2,3-trimethylbut-3-enylidene)hydroxylamine
CID 138580980
(Z)-3-ethyl-6-hydroxy-5,7,7-trimethyloct-5-en-4-one
CID 155277511
5-ethyl-N,7,7-trimethyl-6-methylideneoctan-1-amine
CID 155468092

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).