2,2-dimethylpropane-1,1-diamine;2,2-dimethylpropane-1,3-diamine

C10H28N4 — CID 87393297

IUPAC2,2-dimethylpropane-1,1-diamine;2,2-dimethylpropane-1,3-diamine
SMILESCC(C)(C)C(N)N.CC(C)(CN)CN
InChIInChI=1S/2C5H14N2/c1-5(2,3)4(6)7;1-5(2,3-6)4-7/h4H,6-7H2,1-3H3;3-4,6-7H2,1-2H3
InChIKeyZOWPRCPKMOLSIW-UHFFFAOYSA-N
MW204.36 g/mol
LogP0.21
Rot. Bonds2

About 2,2-dimethylpropane-1,1-diamine;2,2-dimethylpropane-1,3-diamine

2,2-dimethylpropane-1,1-diamine;2,2-dimethylpropane-1,3-diamine (PubChem CID 87393297) has the molecular formula C10H28N4 and a molecular weight of 204.36 g/mol. Its IUPAC name is 2,2-dimethylpropane-1,1-diamine;2,2-dimethylpropane-1,3-diamine.

Molecular Properties

Compound Name2,2-dimethylpropane-1,1-diamine;2,2-dimethylpropane-1,3-diamine
PubChem CID87393297
Molecular FormulaC10H28N4
Molecular Weight204.36 g/mol
Exact Mass204.23
IUPAC Name2,2-dimethylpropane-1,1-diamine;2,2-dimethylpropane-1,3-diamine
SMILESCC(C)(C)C(N)N.CC(C)(CN)CN
InChIInChI=1S/2C5H14N2/c1-5(2,3)4(6)7;1-5(2,3-6)4-7/h4H,6-7H2,1-3H3;3-4,6-7H2,1-2H3
InChIKeyZOWPRCPKMOLSIW-UHFFFAOYSA-N
XLogP0.21
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 50.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropane-1,1-diamine;2,2-dimethylpropane-1,3-diamine?
The IUPAC name of 2,2-dimethylpropane-1,1-diamine;2,2-dimethylpropane-1,3-diamine (CID 87393297) is 2,2-dimethylpropane-1,1-diamine;2,2-dimethylpropane-1,3-diamine.
What is the SMILES notation for 2,2-dimethylpropane-1,1-diamine;2,2-dimethylpropane-1,3-diamine?
The canonical SMILES for 2,2-dimethylpropane-1,1-diamine;2,2-dimethylpropane-1,3-diamine is CC(C)(C)C(N)N.CC(C)(CN)CN.
What is the InChIKey of 2,2-dimethylpropane-1,1-diamine;2,2-dimethylpropane-1,3-diamine?
The InChIKey is ZOWPRCPKMOLSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H14N2/c1-5(2,3)4(6)7;1-5(2,3-6)4-7/h4H,6-7H2,1-3H3;3-4,6-7H2,1-2H3.
What are the key properties of 2,2-dimethylpropane-1,1-diamine;2,2-dimethylpropane-1,3-diamine?
2,2-dimethylpropane-1,1-diamine;2,2-dimethylpropane-1,3-diamine has a molecular weight of 204.36 g/mol, XLogP of 0.21, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropane-1,1-diamine;2,2-dimethylpropane-1,3-diamine is sourced from PubChem (CID 87393297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).