2-methoxypropan-2-yl(pentadecan-2-yl)diazene

C19H40N2O — CID 21387369

IUPAC2-methoxypropan-2-yl(pentadecan-2-yl)diazene
SMILESCCCCCCCCCCCCCC(C)/N=N/C(C)(C)OC
InChIInChI=1S/C19H40N2O/c1-6-7-8-9-10-11-12-13-14-15-16-17-18(2)20-21-19(3,4)22-5/h18H,6-17H2,1-5H3/b21-20+
InChIKeyLIPTZRPDSPOWKY-QZQOTICOSA-N
MW312.54 g/mol
LogP6.91
Rot. Bonds15

About 2-methoxypropan-2-yl(pentadecan-2-yl)diazene

2-methoxypropan-2-yl(pentadecan-2-yl)diazene (PubChem CID 21387369) has the molecular formula C19H40N2O and a molecular weight of 312.54 g/mol. Its IUPAC name is 2-methoxypropan-2-yl(pentadecan-2-yl)diazene.

Molecular Properties

Compound Name2-methoxypropan-2-yl(pentadecan-2-yl)diazene
PubChem CID21387369
Molecular FormulaC19H40N2O
Molecular Weight312.54 g/mol
Exact Mass312.31
IUPAC Name2-methoxypropan-2-yl(pentadecan-2-yl)diazene
SMILESCCCCCCCCCCCCCC(C)/N=N/C(C)(C)OC
InChIInChI=1S/C19H40N2O/c1-6-7-8-9-10-11-12-13-14-15-16-17-18(2)20-21-19(3,4)22-5/h18H,6-17H2,1-5H3/b21-20+
InChIKeyLIPTZRPDSPOWKY-QZQOTICOSA-N
XLogP6.91
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.54
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 2-methoxypropan-2-yl(pentadecan-2-yl)diazene 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

2-methoxypropan-2-yl(octan-2-yl)diazene
CID 21387116
2-methoxypropan-2-yl(tridecan-7-yl)diazene
CID 21387067
2-chloropropan-2-yl(octan-2-yl)diazene
CID 21387185
di(octan-2-yl)diazene
CID 139695075
2-methoxy-2,3-dimethylundecane
CID 150941081
2,2,3-trimethylundecane
CID 21285055
hexan-2-yl(pentyl)diazene
CID 141139949
4-tert-butyl-3,3-dimethoxy-2,2-dimethyldodecane
CID 152688982
4-(1,1-dimethoxyethyl)-3,3-dimethyldodecane
CID 150600164
2-(1,1-dimethoxyethyl)decan-1-amine
CID 151429563
9-tert-butylhenicosane
CID 150708915
6-(trimethoxymethyl)tridecane
CID 151806345

Frequently Asked Questions

What is the IUPAC name of 2-methoxypropan-2-yl(pentadecan-2-yl)diazene?
The IUPAC name of 2-methoxypropan-2-yl(pentadecan-2-yl)diazene (CID 21387369) is 2-methoxypropan-2-yl(pentadecan-2-yl)diazene.
What is the SMILES notation for 2-methoxypropan-2-yl(pentadecan-2-yl)diazene?
The canonical SMILES for 2-methoxypropan-2-yl(pentadecan-2-yl)diazene is CCCCCCCCCCCCCC(C)/N=N/C(C)(C)OC.
What is the InChIKey of 2-methoxypropan-2-yl(pentadecan-2-yl)diazene?
The InChIKey is LIPTZRPDSPOWKY-QZQOTICOSA-N. The full InChI is InChI=1S/C19H40N2O/c1-6-7-8-9-10-11-12-13-14-15-16-17-18(2)20-21-19(3,4)22-5/h18H,6-17H2,1-5H3/b21-20+.
What are the key properties of 2-methoxypropan-2-yl(pentadecan-2-yl)diazene?
2-methoxypropan-2-yl(pentadecan-2-yl)diazene has a molecular weight of 312.54 g/mol, XLogP of 6.91, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxypropan-2-yl(pentadecan-2-yl)diazene is sourced from PubChem (CID 21387369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).