1-N'-tert-butyl-1-N-[1-(3-methylimidazol-4-yl)propyl]ethene-1,1-diamine

C13H24N4 — CID 142278168

IUPAC1-N'-tert-butyl-1-N-[1-(3-methylimidazol-4-yl)propyl]ethene-1,1-diamine
SMILESC=C(NC(CC)c1cncn1C)NC(C)(C)C
InChIInChI=1S/C13H24N4/c1-7-11(12-8-14-9-17(12)6)15-10(2)16-13(3,4)5/h8-9,11,15-16H,2,7H2,1,3-6H3
InChIKeyRLSAGXDTHDIWBI-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.32
Rot. Bonds5

About 1-N'-tert-butyl-1-N-[1-(3-methylimidazol-4-yl)propyl]ethene-1,1-diamine

1-N'-tert-butyl-1-N-[1-(3-methylimidazol-4-yl)propyl]ethene-1,1-diamine (PubChem CID 142278168) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-N'-tert-butyl-1-N-[1-(3-methylimidazol-4-yl)propyl]ethene-1,1-diamine.

Molecular Properties

Compound Name1-N'-tert-butyl-1-N-[1-(3-methylimidazol-4-yl)propyl]ethene-1,1-diamine
PubChem CID142278168
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name1-N'-tert-butyl-1-N-[1-(3-methylimidazol-4-yl)propyl]ethene-1,1-diamine
SMILESC=C(NC(CC)c1cncn1C)NC(C)(C)C
InChIInChI=1S/C13H24N4/c1-7-11(12-8-14-9-17(12)6)15-10(2)16-13(3,4)5/h8-9,11,15-16H,2,7H2,1,3-6H3
InChIKeyRLSAGXDTHDIWBI-UHFFFAOYSA-N
XLogP2.32
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N'-tert-butyl-1-N-[1-(3-methylimidazol-4-yl)propyl]ethene-1,1-diamine?
The IUPAC name of 1-N'-tert-butyl-1-N-[1-(3-methylimidazol-4-yl)propyl]ethene-1,1-diamine (CID 142278168) is 1-N'-tert-butyl-1-N-[1-(3-methylimidazol-4-yl)propyl]ethene-1,1-diamine.
What is the SMILES notation for 1-N'-tert-butyl-1-N-[1-(3-methylimidazol-4-yl)propyl]ethene-1,1-diamine?
The canonical SMILES for 1-N'-tert-butyl-1-N-[1-(3-methylimidazol-4-yl)propyl]ethene-1,1-diamine is C=C(NC(CC)c1cncn1C)NC(C)(C)C.
What is the InChIKey of 1-N'-tert-butyl-1-N-[1-(3-methylimidazol-4-yl)propyl]ethene-1,1-diamine?
The InChIKey is RLSAGXDTHDIWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-7-11(12-8-14-9-17(12)6)15-10(2)16-13(3,4)5/h8-9,11,15-16H,2,7H2,1,3-6H3.
What are the key properties of 1-N'-tert-butyl-1-N-[1-(3-methylimidazol-4-yl)propyl]ethene-1,1-diamine?
1-N'-tert-butyl-1-N-[1-(3-methylimidazol-4-yl)propyl]ethene-1,1-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-tert-butyl-1-N-[1-(3-methylimidazol-4-yl)propyl]ethene-1,1-diamine is sourced from PubChem (CID 142278168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).