(NZ)-N-[(1S,2R,5S)-2-(benzylamino)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene]hydroxylamine

C17H24N2O — CID 11899018

IUPAC(NZ)-N-[(1S,2R,5S)-2-(benzylamino)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene]hydroxylamine
SMILESCC1(C)[C@@H]2C/C(=N/O)[C@](C)(NCc3ccccc3)[C@H]1C2
InChIInChI=1S/C17H24N2O/c1-16(2)13-9-14(16)17(3,15(10-13)19-20)18-11-12-7-5-4-6-8-12/h4-8,13-14,18,20H,9-11H2,1-3H3/b19-15-/t13-,14-,17+/m0/s1
InChIKeyNBODKULVIICHAN-NAFYFNPTSA-N
MW272.39 g/mol
LogP3.43
Rot. Bonds3

About (NZ)-N-[(1S,2R,5S)-2-(benzylamino)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene]hydroxylamine

(NZ)-N-[(1S,2R,5S)-2-(benzylamino)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene]hydroxylamine (PubChem CID 11899018) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is (NZ)-N-[(1S,2R,5S)-2-(benzylamino)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(1S,2R,5S)-2-(benzylamino)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene]hydroxylamine
PubChem CID11899018
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name(NZ)-N-[(1S,2R,5S)-2-(benzylamino)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene]hydroxylamine
SMILESCC1(C)[C@@H]2C/C(=N/O)[C@](C)(NCc3ccccc3)[C@H]1C2
InChIInChI=1S/C17H24N2O/c1-16(2)13-9-14(16)17(3,15(10-13)19-20)18-11-12-7-5-4-6-8-12/h4-8,13-14,18,20H,9-11H2,1-3H3/b19-15-/t13-,14-,17+/m0/s1
InChIKeyNBODKULVIICHAN-NAFYFNPTSA-N
XLogP3.43
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Related Compounds

2-(benzylamino)-6,6-dimethylbicyclo[3.1.1]heptane-2-carbonitrile
CID 130873725
(1S,2S,5S)-3-[2-[[(1S,2S,5S)-2-hydroxy-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene]amino]phenyl]imino-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
CID 102179628
N-benzyl-1-methylcyclopentan-1-amine;hydrochloride
CID 171397400
N-benzyl-2,2-dimethyladamantan-1-amine
CID 71452180
1-(benzylamino)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol
CID 118200054
(1S,2R,4R)-1-(benzylamino)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol
CID 118194633
[1-(benzylamino)-3-methylcyclopentyl]methanol
CID 64515748
1-benzyl-3-[(E)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]thiourea
CID 8746915
1-(benzylamino)-3,5-dimethylcyclohexane-1-carboxylic acid
CID 64752274
N-benzyl-1-ethylcyclopropan-1-amine
CID 130847049
cis-(1R,2S)-N-benzyl-1-ethyl-2-phenylcyclopropan-1-amine;hydrochloride
CID 90197726
(1R,2R,3R,5R)-2-(benzylamino)-6,6-dimethylbicyclo[3.1.1]heptane-3-carboxylic acid
CID 68529482

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(1S,2R,5S)-2-(benzylamino)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(1S,2R,5S)-2-(benzylamino)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene]hydroxylamine (CID 11899018) is (NZ)-N-[(1S,2R,5S)-2-(benzylamino)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(1S,2R,5S)-2-(benzylamino)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(1S,2R,5S)-2-(benzylamino)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene]hydroxylamine is CC1(C)[C@@H]2C/C(=N/O)[C@](C)(NCc3ccccc3)[C@H]1C2.
What is the InChIKey of (NZ)-N-[(1S,2R,5S)-2-(benzylamino)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene]hydroxylamine?
The InChIKey is NBODKULVIICHAN-NAFYFNPTSA-N. The full InChI is InChI=1S/C17H24N2O/c1-16(2)13-9-14(16)17(3,15(10-13)19-20)18-11-12-7-5-4-6-8-12/h4-8,13-14,18,20H,9-11H2,1-3H3/b19-15-/t13-,14-,17+/m0/s1.
What are the key properties of (NZ)-N-[(1S,2R,5S)-2-(benzylamino)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene]hydroxylamine?
(NZ)-N-[(1S,2R,5S)-2-(benzylamino)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene]hydroxylamine has a molecular weight of 272.39 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(1S,2R,5S)-2-(benzylamino)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene]hydroxylamine is sourced from PubChem (CID 11899018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).