ethene;pentane-1,5-diamine

C7H18N2 — CID 155743145

IUPACethene;pentane-1,5-diamine
SMILESC=C.NCCCCCN
InChIInChI=1S/C5H14N2.C2H4/c6-4-2-1-3-5-7;1-2/h1-7H2;1-2H2
InChIKeyCOISAYZCTGRYIV-UHFFFAOYSA-N
MW130.24 g/mol
LogP0.88
Rot. Bonds4

About ethene;pentane-1,5-diamine

ethene;pentane-1,5-diamine (PubChem CID 155743145) has the molecular formula C7H18N2 and a molecular weight of 130.24 g/mol. Its IUPAC name is ethene;pentane-1,5-diamine.

Molecular Properties

Compound Nameethene;pentane-1,5-diamine
PubChem CID155743145
Molecular FormulaC7H18N2
Molecular Weight130.24 g/mol
Exact Mass130.15
IUPAC Nameethene;pentane-1,5-diamine
SMILESC=C.NCCCCCN
InChIInChI=1S/C5H14N2.C2H4/c6-4-2-1-3-5-7;1-2/h1-7H2;1-2H2
InChIKeyCOISAYZCTGRYIV-UHFFFAOYSA-N
XLogP0.88
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.24
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

octatriacontane-1,38-diamine
CID 54235792
icosane-1,20-diamine;nonadecane-1,19-diamine
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CID 18179225
pentane-1,5-diamine;tantalum
CID 159829635
heptane-1,7-diamine;tetrahydrobromide
CID 174950337
butane-1,4-diamine;hexane-1,6-diamine;propane-1,3-diamine
CID 159415786
octane-1,8-diamine;hydroiodide
CID 166637894
ethene;propane-1,3-diamine
CID 158358945
pentane-1,5-diamine;dihydrobromide
CID 87582695
hexane-1,6-diamine;platinum
CID 87698683
azane;tetrakis(hexane-1,6-diamine);tris(platinum(2+))
CID 11693801
hexane-1,6-diamine;methanamine
CID 174275715

Frequently Asked Questions

What is the IUPAC name of ethene;pentane-1,5-diamine?
The IUPAC name of ethene;pentane-1,5-diamine (CID 155743145) is ethene;pentane-1,5-diamine.
What is the SMILES notation for ethene;pentane-1,5-diamine?
The canonical SMILES for ethene;pentane-1,5-diamine is C=C.NCCCCCN.
What is the InChIKey of ethene;pentane-1,5-diamine?
The InChIKey is COISAYZCTGRYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2.C2H4/c6-4-2-1-3-5-7;1-2/h1-7H2;1-2H2.
What are the key properties of ethene;pentane-1,5-diamine?
ethene;pentane-1,5-diamine has a molecular weight of 130.24 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;pentane-1,5-diamine is sourced from PubChem (CID 155743145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).