8-diazo-4,4,9,9-tetramethyldodecane-2,5-diamine

C16H34N4 — CID 87452194

IUPAC8-diazo-4,4,9,9-tetramethyldodecane-2,5-diamine
SMILESCCCC(C)(C)C(CCC(N)C(C)(C)CC(C)N)=[N+]=[N-]
InChIInChI=1S/C16H34N4/c1-7-10-15(3,4)14(20-19)9-8-13(18)16(5,6)11-12(2)17/h12-13H,7-11,17-18H2,1-6H3
InChIKeyHDLGLWKUKSPDHO-UHFFFAOYSA-N
MW282.48 g/mol
LogP3.35
Rot. Bonds9

About 8-diazo-4,4,9,9-tetramethyldodecane-2,5-diamine

8-diazo-4,4,9,9-tetramethyldodecane-2,5-diamine (PubChem CID 87452194) has the molecular formula C16H34N4 and a molecular weight of 282.48 g/mol. Its IUPAC name is 8-diazo-4,4,9,9-tetramethyldodecane-2,5-diamine.

Molecular Properties

Compound Name8-diazo-4,4,9,9-tetramethyldodecane-2,5-diamine
PubChem CID87452194
Molecular FormulaC16H34N4
Molecular Weight282.48 g/mol
Exact Mass282.28
IUPAC Name8-diazo-4,4,9,9-tetramethyldodecane-2,5-diamine
SMILESCCCC(C)(C)C(CCC(N)C(C)(C)CC(C)N)=[N+]=[N-]
InChIInChI=1S/C16H34N4/c1-7-10-15(3,4)14(20-19)9-8-13(18)16(5,6)11-12(2)17/h12-13H,7-11,17-18H2,1-6H3
InChIKeyHDLGLWKUKSPDHO-UHFFFAOYSA-N
XLogP3.35
TPSA88.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.48
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-diazo-4,4,9,9-tetramethyldodecane-2,5-diamine?
The IUPAC name of 8-diazo-4,4,9,9-tetramethyldodecane-2,5-diamine (CID 87452194) is 8-diazo-4,4,9,9-tetramethyldodecane-2,5-diamine.
What is the SMILES notation for 8-diazo-4,4,9,9-tetramethyldodecane-2,5-diamine?
The canonical SMILES for 8-diazo-4,4,9,9-tetramethyldodecane-2,5-diamine is CCCC(C)(C)C(CCC(N)C(C)(C)CC(C)N)=[N+]=[N-].
What is the InChIKey of 8-diazo-4,4,9,9-tetramethyldodecane-2,5-diamine?
The InChIKey is HDLGLWKUKSPDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4/c1-7-10-15(3,4)14(20-19)9-8-13(18)16(5,6)11-12(2)17/h12-13H,7-11,17-18H2,1-6H3.
What are the key properties of 8-diazo-4,4,9,9-tetramethyldodecane-2,5-diamine?
8-diazo-4,4,9,9-tetramethyldodecane-2,5-diamine has a molecular weight of 282.48 g/mol, XLogP of 3.35, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-diazo-4,4,9,9-tetramethyldodecane-2,5-diamine is sourced from PubChem (CID 87452194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).