ethane-1,2-diamine;propan-1-ol

C5H16N2O — CID 88786537

IUPACethane-1,2-diamine;propan-1-ol
SMILESCCCO.NCCN
InChIInChI=1S/C3H8O.C2H8N2/c1-2-3-4;3-1-2-4/h4H,2-3H2,1H3;1-4H2
InChIKeyHCWXILDARCFRCD-UHFFFAOYSA-N
MW120.20 g/mol
LogP-0.71
Rot. Bonds2

About ethane-1,2-diamine;propan-1-ol

ethane-1,2-diamine;propan-1-ol (PubChem CID 88786537) has the molecular formula C5H16N2O and a molecular weight of 120.20 g/mol. Its IUPAC name is ethane-1,2-diamine;propan-1-ol.

Molecular Properties

Compound Nameethane-1,2-diamine;propan-1-ol
PubChem CID88786537
Molecular FormulaC5H16N2O
Molecular Weight120.20 g/mol
Exact Mass120.13
IUPAC Nameethane-1,2-diamine;propan-1-ol
SMILESCCCO.NCCN
InChIInChI=1S/C3H8O.C2H8N2/c1-2-3-4;3-1-2-4/h4H,2-3H2,1H3;1-4H2
InChIKeyHCWXILDARCFRCD-UHFFFAOYSA-N
XLogP-0.71
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.20
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diamine;propan-1-ol?
The IUPAC name of ethane-1,2-diamine;propan-1-ol (CID 88786537) is ethane-1,2-diamine;propan-1-ol.
What is the SMILES notation for ethane-1,2-diamine;propan-1-ol?
The canonical SMILES for ethane-1,2-diamine;propan-1-ol is CCCO.NCCN.
What is the InChIKey of ethane-1,2-diamine;propan-1-ol?
The InChIKey is HCWXILDARCFRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O.C2H8N2/c1-2-3-4;3-1-2-4/h4H,2-3H2,1H3;1-4H2.
What are the key properties of ethane-1,2-diamine;propan-1-ol?
ethane-1,2-diamine;propan-1-ol has a molecular weight of 120.20 g/mol, XLogP of -0.71, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diamine;propan-1-ol is sourced from PubChem (CID 88786537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).