(NE)-N-[2-[N-(3-methylbut-2-enyl)anilino]butylidene]hydroxylamine

C15H22N2O — CID 15644935

IUPAC(NE)-N-[2-[N-(3-methylbut-2-enyl)anilino]butylidene]hydroxylamine
SMILESCCC(/C=N/O)N(CC=C(C)C)c1ccccc1
InChIInChI=1S/C15H22N2O/c1-4-14(12-16-18)17(11-10-13(2)3)15-8-6-5-7-9-15/h5-10,12,14,18H,4,11H2,1-3H3/b16-12+
InChIKeyNJHAOFYHFDNCQO-FOWTUZBSSA-N
MW246.35 g/mol
LogP3.70
Rot. Bonds6

About (NE)-N-[2-[N-(3-methylbut-2-enyl)anilino]butylidene]hydroxylamine

(NE)-N-[2-[N-(3-methylbut-2-enyl)anilino]butylidene]hydroxylamine (PubChem CID 15644935) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is (NE)-N-[2-[N-(3-methylbut-2-enyl)anilino]butylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[2-[N-(3-methylbut-2-enyl)anilino]butylidene]hydroxylamine
PubChem CID15644935
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name(NE)-N-[2-[N-(3-methylbut-2-enyl)anilino]butylidene]hydroxylamine
SMILESCCC(/C=N/O)N(CC=C(C)C)c1ccccc1
InChIInChI=1S/C15H22N2O/c1-4-14(12-16-18)17(11-10-13(2)3)15-8-6-5-7-9-15/h5-10,12,14,18H,4,11H2,1-3H3/b16-12+
InChIKeyNJHAOFYHFDNCQO-FOWTUZBSSA-N
XLogP3.70
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-ethyl-N-pent-1-en-3-ylaniline
CID 141318240
(1S)-1-(N-ethylanilino)propane-1,3-diol
CID 124514584
N-(3-methylbut-2-enyl)-N-[(1S)-1-phenylethyl]propanamide
CID 135041080
2-[bis(3-methylbut-2-enyl)amino]phenol;hydrochloride
CID 70418433
N-(2-methyl-3-phenylpropylidene)hydroxylamine
CID 88518263
1-N'-ethyl-1-N'-phenylpropane-1,1-diamine;hydrochloride
CID 19706422
2-[bis(3-methylbut-2-enyl)amino]-3-phenylpropanoic acid
CID 67640387
N-(1H-imidazol-2-ylmethyl)-N-(3-methylbut-2-enyl)aniline;N-(1H-imidazol-2-ylmethyl)-N-(3-methylbutyl)aniline
CID 158910448
3-(N-ethylanilino)pentanenitrile
CID 174634114
1-(N-ethylanilino)propane-1-sulfonic acid
CID 19352883
(E)-4-(N-ethylanilino)-2-methylbut-2-enoic acid
CID 67574950
4-chloro-N-methyl-N-(3-methylbut-2-enyl)-2-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]aniline
CID 58987663

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[2-[N-(3-methylbut-2-enyl)anilino]butylidene]hydroxylamine?
The IUPAC name of (NE)-N-[2-[N-(3-methylbut-2-enyl)anilino]butylidene]hydroxylamine (CID 15644935) is (NE)-N-[2-[N-(3-methylbut-2-enyl)anilino]butylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[2-[N-(3-methylbut-2-enyl)anilino]butylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[2-[N-(3-methylbut-2-enyl)anilino]butylidene]hydroxylamine is CCC(/C=N/O)N(CC=C(C)C)c1ccccc1.
What is the InChIKey of (NE)-N-[2-[N-(3-methylbut-2-enyl)anilino]butylidene]hydroxylamine?
The InChIKey is NJHAOFYHFDNCQO-FOWTUZBSSA-N. The full InChI is InChI=1S/C15H22N2O/c1-4-14(12-16-18)17(11-10-13(2)3)15-8-6-5-7-9-15/h5-10,12,14,18H,4,11H2,1-3H3/b16-12+.
What are the key properties of (NE)-N-[2-[N-(3-methylbut-2-enyl)anilino]butylidene]hydroxylamine?
(NE)-N-[2-[N-(3-methylbut-2-enyl)anilino]butylidene]hydroxylamine has a molecular weight of 246.35 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[2-[N-(3-methylbut-2-enyl)anilino]butylidene]hydroxylamine is sourced from PubChem (CID 15644935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).