ethane-1,2-diamine;2-(1H-imidazol-5-yl)ethanamine

C7H17N5 — CID 174826915

IUPACethane-1,2-diamine;2-(1H-imidazol-5-yl)ethanamine
SMILESNCCN.NCCc1cnc[nH]1
InChIInChI=1S/C5H9N3.C2H8N2/c6-2-1-5-3-7-4-8-5;3-1-2-4/h3-4H,1-2,6H2,(H,7,8);1-4H2
InChIKeyQDTYCEQIGSFQKM-UHFFFAOYSA-N
MW171.25 g/mol
LogP-1.19
Rot. Bonds3

About ethane-1,2-diamine;2-(1H-imidazol-5-yl)ethanamine

ethane-1,2-diamine;2-(1H-imidazol-5-yl)ethanamine (PubChem CID 174826915) has the molecular formula C7H17N5 and a molecular weight of 171.25 g/mol. Its IUPAC name is ethane-1,2-diamine;2-(1H-imidazol-5-yl)ethanamine.

Molecular Properties

Compound Nameethane-1,2-diamine;2-(1H-imidazol-5-yl)ethanamine
PubChem CID174826915
Molecular FormulaC7H17N5
Molecular Weight171.25 g/mol
Exact Mass171.15
IUPAC Nameethane-1,2-diamine;2-(1H-imidazol-5-yl)ethanamine
SMILESNCCN.NCCc1cnc[nH]1
InChIInChI=1S/C5H9N3.C2H8N2/c6-2-1-5-3-7-4-8-5;3-1-2-4/h3-4H,1-2,6H2,(H,7,8);1-4H2
InChIKeyQDTYCEQIGSFQKM-UHFFFAOYSA-N
XLogP-1.19
TPSA106.74 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.25
LogP ≤ 5-1.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1H-imidazol-5-yl)ethanamine;dihydrofluoride
CID 67652425
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4-(1H-imidazol-5-yl)butan-1-amine
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2-(1H-imidazol-5-yl)ethanamine;phenol
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CID 25239956
5-bromo-4-chloropyrimidine;2-(1H-imidazol-5-yl)ethanamine
CID 87602817
acetaldehyde;1H-imidazole;2-(1H-imidazol-5-yl)ethanamine
CID 88937716
5-(2-methylsulfanylethyl)-1H-imidazole
CID 141211352
2-amino-4-methylpentanoic acid;2-(1H-imidazol-5-yl)ethanamine
CID 174496093
2-(1H-imidazol-5-yl)ethanol;molecular hydrogen
CID 168881125
5-[6-[6-(1H-imidazol-5-yl)hexoxy]hexyl]-1H-imidazole
CID 69024759
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CID 67691802

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diamine;2-(1H-imidazol-5-yl)ethanamine?
The IUPAC name of ethane-1,2-diamine;2-(1H-imidazol-5-yl)ethanamine (CID 174826915) is ethane-1,2-diamine;2-(1H-imidazol-5-yl)ethanamine.
What is the SMILES notation for ethane-1,2-diamine;2-(1H-imidazol-5-yl)ethanamine?
The canonical SMILES for ethane-1,2-diamine;2-(1H-imidazol-5-yl)ethanamine is NCCN.NCCc1cnc[nH]1.
What is the InChIKey of ethane-1,2-diamine;2-(1H-imidazol-5-yl)ethanamine?
The InChIKey is QDTYCEQIGSFQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3.C2H8N2/c6-2-1-5-3-7-4-8-5;3-1-2-4/h3-4H,1-2,6H2,(H,7,8);1-4H2.
What are the key properties of ethane-1,2-diamine;2-(1H-imidazol-5-yl)ethanamine?
ethane-1,2-diamine;2-(1H-imidazol-5-yl)ethanamine has a molecular weight of 171.25 g/mol, XLogP of -1.19, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diamine;2-(1H-imidazol-5-yl)ethanamine is sourced from PubChem (CID 174826915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).