ethane;N-ethenyl-5-propan-2-ylidene-1,2-dihydroimidazol-4-amine

C12H25N3 — CID 142067313

IUPACethane;N-ethenyl-5-propan-2-ylidene-1,2-dihydroimidazol-4-amine
SMILESC=CNC1=NCNC1=C(C)C.CC.CC
InChIInChI=1S/C8H13N3.2C2H6/c1-4-9-8-7(6(2)3)10-5-11-8;2*1-2/h4,10H,1,5H2,2-3H3,(H,9,11);2*1-2H3
InChIKeyKOSVXLMLQHRMQO-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.03
Rot. Bonds1

About ethane;N-ethenyl-5-propan-2-ylidene-1,2-dihydroimidazol-4-amine

ethane;N-ethenyl-5-propan-2-ylidene-1,2-dihydroimidazol-4-amine (PubChem CID 142067313) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is ethane;N-ethenyl-5-propan-2-ylidene-1,2-dihydroimidazol-4-amine.

Molecular Properties

Compound Nameethane;N-ethenyl-5-propan-2-ylidene-1,2-dihydroimidazol-4-amine
PubChem CID142067313
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Nameethane;N-ethenyl-5-propan-2-ylidene-1,2-dihydroimidazol-4-amine
SMILESC=CNC1=NCNC1=C(C)C.CC.CC
InChIInChI=1S/C8H13N3.2C2H6/c1-4-9-8-7(6(2)3)10-5-11-8;2*1-2/h4,10H,1,5H2,2-3H3,(H,9,11);2*1-2H3
InChIKeyKOSVXLMLQHRMQO-UHFFFAOYSA-N
XLogP3.03
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;N-ethenyl-5-propan-2-ylidene-1,2-dihydroimidazol-4-amine?
The IUPAC name of ethane;N-ethenyl-5-propan-2-ylidene-1,2-dihydroimidazol-4-amine (CID 142067313) is ethane;N-ethenyl-5-propan-2-ylidene-1,2-dihydroimidazol-4-amine.
What is the SMILES notation for ethane;N-ethenyl-5-propan-2-ylidene-1,2-dihydroimidazol-4-amine?
The canonical SMILES for ethane;N-ethenyl-5-propan-2-ylidene-1,2-dihydroimidazol-4-amine is C=CNC1=NCNC1=C(C)C.CC.CC.
What is the InChIKey of ethane;N-ethenyl-5-propan-2-ylidene-1,2-dihydroimidazol-4-amine?
The InChIKey is KOSVXLMLQHRMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3.2C2H6/c1-4-9-8-7(6(2)3)10-5-11-8;2*1-2/h4,10H,1,5H2,2-3H3,(H,9,11);2*1-2H3.
What are the key properties of ethane;N-ethenyl-5-propan-2-ylidene-1,2-dihydroimidazol-4-amine?
ethane;N-ethenyl-5-propan-2-ylidene-1,2-dihydroimidazol-4-amine has a molecular weight of 211.35 g/mol, XLogP of 3.03, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethenyl-5-propan-2-ylidene-1,2-dihydroimidazol-4-amine is sourced from PubChem (CID 142067313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).