butane-1,2-diamine;N,N'-dimethylethane-1,2-diamine

C8H24N4 — CID 87410830

IUPACbutane-1,2-diamine;N,N'-dimethylethane-1,2-diamine
SMILESCCC(N)CN.CNCCNC
InChIInChI=1S/2C4H12N2/c1-5-3-4-6-2;1-2-4(6)3-5/h5-6H,3-4H2,1-2H3;4H,2-3,5-6H2,1H3
InChIKeyGVRQGIJMLJENTH-UHFFFAOYSA-N
MW176.31 g/mol
LogP-0.89
Rot. Bonds5

About butane-1,2-diamine;N,N'-dimethylethane-1,2-diamine

butane-1,2-diamine;N,N'-dimethylethane-1,2-diamine (PubChem CID 87410830) has the molecular formula C8H24N4 and a molecular weight of 176.31 g/mol. Its IUPAC name is butane-1,2-diamine;N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound Namebutane-1,2-diamine;N,N'-dimethylethane-1,2-diamine
PubChem CID87410830
Molecular FormulaC8H24N4
Molecular Weight176.31 g/mol
Exact Mass176.20
IUPAC Namebutane-1,2-diamine;N,N'-dimethylethane-1,2-diamine
SMILESCCC(N)CN.CNCCNC
InChIInChI=1S/2C4H12N2/c1-5-3-4-6-2;1-2-4(6)3-5/h5-6H,3-4H2,1-2H3;4H,2-3,5-6H2,1H3
InChIKeyGVRQGIJMLJENTH-UHFFFAOYSA-N
XLogP-0.89
TPSA76.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.31
LogP ≤ 5-0.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butane-1,2-diamine;N,N'-dimethylethane-1,2-diamine?
The IUPAC name of butane-1,2-diamine;N,N'-dimethylethane-1,2-diamine (CID 87410830) is butane-1,2-diamine;N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for butane-1,2-diamine;N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for butane-1,2-diamine;N,N'-dimethylethane-1,2-diamine is CCC(N)CN.CNCCNC.
What is the InChIKey of butane-1,2-diamine;N,N'-dimethylethane-1,2-diamine?
The InChIKey is GVRQGIJMLJENTH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H12N2/c1-5-3-4-6-2;1-2-4(6)3-5/h5-6H,3-4H2,1-2H3;4H,2-3,5-6H2,1H3.
What are the key properties of butane-1,2-diamine;N,N'-dimethylethane-1,2-diamine?
butane-1,2-diamine;N,N'-dimethylethane-1,2-diamine has a molecular weight of 176.31 g/mol, XLogP of -0.89, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butane-1,2-diamine;N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 87410830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).