N-[3-[benzyl-[(E)-but-2-enyl]amino]-2,2-dimethylpropylidene]hydroxylamine

C16H24N2O — CID 23239396

IUPACN-[3-[benzyl-[(E)-but-2-enyl]amino]-2,2-dimethylpropylidene]hydroxylamine
SMILESC/C=C/CN(Cc1ccccc1)CC(C)(C)C=NO
InChIInChI=1S/C16H24N2O/c1-4-5-11-18(14-16(2,3)13-17-19)12-15-9-7-6-8-10-15/h4-10,13,19H,11-12,14H2,1-3H3/b5-4+,17-13?
InChIKeyVWJIJXQNIUBTOF-NXEJLFEBSA-N
MW260.38 g/mol
LogP3.55
Rot. Bonds7

About N-[3-[benzyl-[(E)-but-2-enyl]amino]-2,2-dimethylpropylidene]hydroxylamine

N-[3-[benzyl-[(E)-but-2-enyl]amino]-2,2-dimethylpropylidene]hydroxylamine (PubChem CID 23239396) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[3-[benzyl-[(E)-but-2-enyl]amino]-2,2-dimethylpropylidene]hydroxylamine.

Molecular Properties

Compound NameN-[3-[benzyl-[(E)-but-2-enyl]amino]-2,2-dimethylpropylidene]hydroxylamine
PubChem CID23239396
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-[3-[benzyl-[(E)-but-2-enyl]amino]-2,2-dimethylpropylidene]hydroxylamine
SMILESC/C=C/CN(Cc1ccccc1)CC(C)(C)C=NO
InChIInChI=1S/C16H24N2O/c1-4-5-11-18(14-16(2,3)13-17-19)12-15-9-7-6-8-10-15/h4-10,13,19H,11-12,14H2,1-3H3/b5-4+,17-13?
InChIKeyVWJIJXQNIUBTOF-NXEJLFEBSA-N
XLogP3.55
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.55
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

2-[benzyl-[(Z)-but-2-enyl]amino]acetonitrile
CID 15383614
1-[benzyl-[(E)-but-2-enyl]amino]butan-2-ol
CID 13219301
N-benzyl-N-[(E)-but-2-enyl]-1,1,1-trifluoromethanesulfonamide
CID 10946291
1-N-benzyl-1-N-ethyl-2,2,3-trimethylbutane-1,3-diamine
CID 65266664
N-(3-chloro-2,2-dimethylpropylidene)hydroxylamine;phenylmethanol
CID 173415587
2-[benzyl(2,2-dimethylpropyl)amino]acetic acid
CID 119135307
N,N-dibenzyl-2-methylbut-2-en-1-amine
CID 78088479
(NZ)-N-[1-[benzyl-[(2Z)-2-hydroxyiminopropyl]amino]propan-2-ylidene]hydroxylamine
CID 134858396
N-[1-[benzyl(2-hydroxyiminopropyl)amino]propan-2-ylidene]hydroxylamine
CID 71426108
2-[[2,2-bis[[bis(carboxymethyl)amino]methyl]-3-(dibenzylamino)propyl]-(carboxymethyl)amino]acetic acid
CID 11445219
N',N'-dibenzyl-N,N-bis(cyclohexylmethyl)but-2-ene-1,4-diamine
CID 57036974
1-N,1-N-dibenzyl-2-N,2-dimethylpropane-1,2-diamine
CID 62847858

Frequently Asked Questions

What is the IUPAC name of N-[3-[benzyl-[(E)-but-2-enyl]amino]-2,2-dimethylpropylidene]hydroxylamine?
The IUPAC name of N-[3-[benzyl-[(E)-but-2-enyl]amino]-2,2-dimethylpropylidene]hydroxylamine (CID 23239396) is N-[3-[benzyl-[(E)-but-2-enyl]amino]-2,2-dimethylpropylidene]hydroxylamine.
What is the SMILES notation for N-[3-[benzyl-[(E)-but-2-enyl]amino]-2,2-dimethylpropylidene]hydroxylamine?
The canonical SMILES for N-[3-[benzyl-[(E)-but-2-enyl]amino]-2,2-dimethylpropylidene]hydroxylamine is C/C=C/CN(Cc1ccccc1)CC(C)(C)C=NO.
What is the InChIKey of N-[3-[benzyl-[(E)-but-2-enyl]amino]-2,2-dimethylpropylidene]hydroxylamine?
The InChIKey is VWJIJXQNIUBTOF-NXEJLFEBSA-N. The full InChI is InChI=1S/C16H24N2O/c1-4-5-11-18(14-16(2,3)13-17-19)12-15-9-7-6-8-10-15/h4-10,13,19H,11-12,14H2,1-3H3/b5-4+,17-13?.
What are the key properties of N-[3-[benzyl-[(E)-but-2-enyl]amino]-2,2-dimethylpropylidene]hydroxylamine?
N-[3-[benzyl-[(E)-but-2-enyl]amino]-2,2-dimethylpropylidene]hydroxylamine has a molecular weight of 260.38 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[benzyl-[(E)-but-2-enyl]amino]-2,2-dimethylpropylidene]hydroxylamine is sourced from PubChem (CID 23239396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).