(E)-N-(tert-butyldiazenyl)-N-methylprop-1-en-1-amine

C8H17N3 — CID 142974432

IUPAC(E)-N-(tert-butyldiazenyl)-N-methylprop-1-en-1-amine
SMILESC/C=C/N(C)/N=N/C(C)(C)C
InChIInChI=1S/C8H17N3/c1-6-7-11(5)10-9-8(2,3)4/h6-7H,1-5H3/b7-6+,10-9+
InChIKeyYQRLXCYAURHPGV-AVQMFFATSA-N
MW155.24 g/mol
LogP2.62
Rot. Bonds2

About (E)-N-(tert-butyldiazenyl)-N-methylprop-1-en-1-amine

(E)-N-(tert-butyldiazenyl)-N-methylprop-1-en-1-amine (PubChem CID 142974432) has the molecular formula C8H17N3 and a molecular weight of 155.24 g/mol. Its IUPAC name is (E)-N-(tert-butyldiazenyl)-N-methylprop-1-en-1-amine.

Molecular Properties

Compound Name(E)-N-(tert-butyldiazenyl)-N-methylprop-1-en-1-amine
PubChem CID142974432
Molecular FormulaC8H17N3
Molecular Weight155.24 g/mol
Exact Mass155.14
IUPAC Name(E)-N-(tert-butyldiazenyl)-N-methylprop-1-en-1-amine
SMILESC/C=C/N(C)/N=N/C(C)(C)C
InChIInChI=1S/C8H17N3/c1-6-7-11(5)10-9-8(2,3)4/h6-7H,1-5H3/b7-6+,10-9+
InChIKeyYQRLXCYAURHPGV-AVQMFFATSA-N
XLogP2.62
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 52.62
H-Bond Donors ≤ 50
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 57687211
CID 57687211
CID 59251032
CID 59251032
CID 59815250
CID 59815250
CID 70583194
CID 70583194
CID 88859908
CID 88859908
CID 89863054
CID 89863054
CID 130207582
CID 130207582
CID 138462723
CID 138462723
CID 139351196
CID 139351196
CID 143991770
CID 143991770
CID 144947285
CID 144947285
CID 146352695
CID 146352695

Frequently Asked Questions

What is the IUPAC name of (E)-N-(tert-butyldiazenyl)-N-methylprop-1-en-1-amine?
The IUPAC name of (E)-N-(tert-butyldiazenyl)-N-methylprop-1-en-1-amine (CID 142974432) is (E)-N-(tert-butyldiazenyl)-N-methylprop-1-en-1-amine.
What is the SMILES notation for (E)-N-(tert-butyldiazenyl)-N-methylprop-1-en-1-amine?
The canonical SMILES for (E)-N-(tert-butyldiazenyl)-N-methylprop-1-en-1-amine is C/C=C/N(C)/N=N/C(C)(C)C.
What is the InChIKey of (E)-N-(tert-butyldiazenyl)-N-methylprop-1-en-1-amine?
The InChIKey is YQRLXCYAURHPGV-AVQMFFATSA-N. The full InChI is InChI=1S/C8H17N3/c1-6-7-11(5)10-9-8(2,3)4/h6-7H,1-5H3/b7-6+,10-9+.
What are the key properties of (E)-N-(tert-butyldiazenyl)-N-methylprop-1-en-1-amine?
(E)-N-(tert-butyldiazenyl)-N-methylprop-1-en-1-amine has a molecular weight of 155.24 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(tert-butyldiazenyl)-N-methylprop-1-en-1-amine is sourced from PubChem (CID 142974432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).