N-tert-butyl-5-ethyl-2-methyl-1-(methyldiazenyl)nonan-4-imine

C17H35N3 — CID 123229347

IUPACN-tert-butyl-5-ethyl-2-methyl-1-(methyldiazenyl)nonan-4-imine
SMILESCCCCC(CC)/C(CC(C)C/N=N/C)=N/C(C)(C)C
InChIInChI=1S/C17H35N3/c1-8-10-11-15(9-2)16(20-17(4,5)6)12-14(3)13-19-18-7/h14-15H,8-13H2,1-7H3/b19-18+,20-16+
InChIKeyRSZAQGQRWIPAPS-VWKRQSPGSA-N
MW281.49 g/mol
LogP5.55
Rot. Bonds9

About N-tert-butyl-5-ethyl-2-methyl-1-(methyldiazenyl)nonan-4-imine

N-tert-butyl-5-ethyl-2-methyl-1-(methyldiazenyl)nonan-4-imine (PubChem CID 123229347) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is N-tert-butyl-5-ethyl-2-methyl-1-(methyldiazenyl)nonan-4-imine.

Molecular Properties

Compound NameN-tert-butyl-5-ethyl-2-methyl-1-(methyldiazenyl)nonan-4-imine
PubChem CID123229347
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC NameN-tert-butyl-5-ethyl-2-methyl-1-(methyldiazenyl)nonan-4-imine
SMILESCCCCC(CC)/C(CC(C)C/N=N/C)=N/C(C)(C)C
InChIInChI=1S/C17H35N3/c1-8-10-11-15(9-2)16(20-17(4,5)6)12-14(3)13-19-18-7/h14-15H,8-13H2,1-7H3/b19-18+,20-16+
InChIKeyRSZAQGQRWIPAPS-VWKRQSPGSA-N
XLogP5.55
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.49
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-ethylhexanethioamide
CID 87934878
6-ethyl-N-methyl-4-propyldecan-5-imine
CID 143097037
3-ethyl-2-hexan-2-yloxynon-1-ene
CID 87707637
CID 173015754
CID 173015754
(3R,6S)-3,6-dimethyldecane
CID 170848353
3,5-diethylnonan-4-one
CID 115785527
ethene;3-methyl-6-[(3Z,5Z)-3-methylhepta-1,3,5-trien-4-yl]dodecane
CID 144619694
tris(2-ethylhexanoic acid);propan-2-yl-λ2-stannane
CID 173133127
5,11-diethyl-8,8-dimethylpentadecane-6,10-dione
CID 19870279
bis(2-ethylhexanoic acid);manganese(3+)
CID 175736722
bis(2-ethylhexanoic acid);manganese
CID 173402583
cobalt;bis(2-ethylhexanoic acid)
CID 85390748

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-ethyl-2-methyl-1-(methyldiazenyl)nonan-4-imine?
The IUPAC name of N-tert-butyl-5-ethyl-2-methyl-1-(methyldiazenyl)nonan-4-imine (CID 123229347) is N-tert-butyl-5-ethyl-2-methyl-1-(methyldiazenyl)nonan-4-imine.
What is the SMILES notation for N-tert-butyl-5-ethyl-2-methyl-1-(methyldiazenyl)nonan-4-imine?
The canonical SMILES for N-tert-butyl-5-ethyl-2-methyl-1-(methyldiazenyl)nonan-4-imine is CCCCC(CC)/C(CC(C)C/N=N/C)=N/C(C)(C)C.
What is the InChIKey of N-tert-butyl-5-ethyl-2-methyl-1-(methyldiazenyl)nonan-4-imine?
The InChIKey is RSZAQGQRWIPAPS-VWKRQSPGSA-N. The full InChI is InChI=1S/C17H35N3/c1-8-10-11-15(9-2)16(20-17(4,5)6)12-14(3)13-19-18-7/h14-15H,8-13H2,1-7H3/b19-18+,20-16+.
What are the key properties of N-tert-butyl-5-ethyl-2-methyl-1-(methyldiazenyl)nonan-4-imine?
N-tert-butyl-5-ethyl-2-methyl-1-(methyldiazenyl)nonan-4-imine has a molecular weight of 281.49 g/mol, XLogP of 5.55, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-ethyl-2-methyl-1-(methyldiazenyl)nonan-4-imine is sourced from PubChem (CID 123229347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).