hexoxybenzene;(NE)-N-[1-(oxolan-3-ylmethylamino)pentan-3-ylidene]hydroxylamine

C22H38N2O3 — CID 145008745

IUPAChexoxybenzene;(NE)-N-[1-(oxolan-3-ylmethylamino)pentan-3-ylidene]hydroxylamine
SMILESCC/C(CCNCC1CCOC1)=N\O.CCCCCCOc1ccccc1
InChIInChI=1S/C12H18O.C10H20N2O2/c1-2-3-4-8-11-13-12-9-6-5-7-10-12;1-2-10(12-13)3-5-11-7-9-4-6-14-8-9/h5-7,9-10H,2-4,8,11H2,1H3;9,11,13H,2-8H2,1H3/b;12-10+
InChIKeyXRBAOLLSBCVJGC-XIKQHSBTSA-N
MW378.56 g/mol
LogP4.89
Rot. Bonds12

About hexoxybenzene;(NE)-N-[1-(oxolan-3-ylmethylamino)pentan-3-ylidene]hydroxylamine

hexoxybenzene;(NE)-N-[1-(oxolan-3-ylmethylamino)pentan-3-ylidene]hydroxylamine (PubChem CID 145008745) has the molecular formula C22H38N2O3 and a molecular weight of 378.56 g/mol. Its IUPAC name is hexoxybenzene;(NE)-N-[1-(oxolan-3-ylmethylamino)pentan-3-ylidene]hydroxylamine.

Molecular Properties

Compound Namehexoxybenzene;(NE)-N-[1-(oxolan-3-ylmethylamino)pentan-3-ylidene]hydroxylamine
PubChem CID145008745
Molecular FormulaC22H38N2O3
Molecular Weight378.56 g/mol
Exact Mass378.29
IUPAC Namehexoxybenzene;(NE)-N-[1-(oxolan-3-ylmethylamino)pentan-3-ylidene]hydroxylamine
SMILESCC/C(CCNCC1CCOC1)=N\O.CCCCCCOc1ccccc1
InChIInChI=1S/C12H18O.C10H20N2O2/c1-2-3-4-8-11-13-12-9-6-5-7-10-12;1-2-10(12-13)3-5-11-7-9-4-6-14-8-9/h5-7,9-10H,2-4,8,11H2,1H3;9,11,13H,2-8H2,1H3/b;12-10+
InChIKeyXRBAOLLSBCVJGC-XIKQHSBTSA-N
XLogP4.89
TPSA63.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.56
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze hexoxybenzene;(NE)-N-[1-(oxolan-3-ylmethylamino)pentan-3-ylidene]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(oxan-3-ylmethyl)-3-phenoxypropan-1-amine
CID 62935741
2-(3-ethoxyphenoxy)-N-(oxolan-3-ylmethyl)ethanamine
CID 62583804
2-(3-ethylphenoxy)-N-(oxolan-3-ylmethyl)ethanamine
CID 62597949
N-[2-(oxolan-3-yl)ethyl]-3-phenoxypropan-1-amine
CID 102671422
2-(2-ethoxyphenoxy)-N-(oxolan-3-ylmethyl)ethanamine
CID 62571173
2-[2-(2-butoxyethoxy)ethoxy]-N-(oxolan-3-ylmethyl)ethanamine
CID 104561873
pentoxybenzene;undecane
CID 174778179
N-(oxan-3-ylmethyl)nonan-1-amine
CID 61020606
azane;dodecoxybenzene;oxirane;sulfuric acid
CID 174520551
N-(oxolan-3-ylmethyl)-5-(4-phenoxybutyl)-1,2-oxazole-3-carboxamide
CID 90325844
N-(oxolan-3-ylmethyl)propan-1-amine
CID 22355248
2-octan-2-yloxy-N-(oxolan-3-ylmethyl)ethanamine
CID 62598671

Frequently Asked Questions

What is the IUPAC name of hexoxybenzene;(NE)-N-[1-(oxolan-3-ylmethylamino)pentan-3-ylidene]hydroxylamine?
The IUPAC name of hexoxybenzene;(NE)-N-[1-(oxolan-3-ylmethylamino)pentan-3-ylidene]hydroxylamine (CID 145008745) is hexoxybenzene;(NE)-N-[1-(oxolan-3-ylmethylamino)pentan-3-ylidene]hydroxylamine.
What is the SMILES notation for hexoxybenzene;(NE)-N-[1-(oxolan-3-ylmethylamino)pentan-3-ylidene]hydroxylamine?
The canonical SMILES for hexoxybenzene;(NE)-N-[1-(oxolan-3-ylmethylamino)pentan-3-ylidene]hydroxylamine is CC/C(CCNCC1CCOC1)=N\O.CCCCCCOc1ccccc1.
What is the InChIKey of hexoxybenzene;(NE)-N-[1-(oxolan-3-ylmethylamino)pentan-3-ylidene]hydroxylamine?
The InChIKey is XRBAOLLSBCVJGC-XIKQHSBTSA-N. The full InChI is InChI=1S/C12H18O.C10H20N2O2/c1-2-3-4-8-11-13-12-9-6-5-7-10-12;1-2-10(12-13)3-5-11-7-9-4-6-14-8-9/h5-7,9-10H,2-4,8,11H2,1H3;9,11,13H,2-8H2,1H3/b;12-10+.
What are the key properties of hexoxybenzene;(NE)-N-[1-(oxolan-3-ylmethylamino)pentan-3-ylidene]hydroxylamine?
hexoxybenzene;(NE)-N-[1-(oxolan-3-ylmethylamino)pentan-3-ylidene]hydroxylamine has a molecular weight of 378.56 g/mol, XLogP of 4.89, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hexoxybenzene;(NE)-N-[1-(oxolan-3-ylmethylamino)pentan-3-ylidene]hydroxylamine is sourced from PubChem (CID 145008745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).