1-(1,1-diamino-2,2-dimethylpropoxy)-2,2-dimethylpropane-1,1-diamine

C10H26N4O — CID 87415655

IUPAC1-(1,1-diamino-2,2-dimethylpropoxy)-2,2-dimethylpropane-1,1-diamine
SMILESCC(C)(C)C(N)(N)OC(N)(N)C(C)(C)C
InChIInChI=1S/C10H26N4O/c1-7(2,3)9(11,12)15-10(13,14)8(4,5)6/h11-14H2,1-6H3
InChIKeyIJPSLSHLZVYMPZ-UHFFFAOYSA-N
MW218.34 g/mol
LogP0.24
Rot. Bonds2

About 1-(1,1-diamino-2,2-dimethylpropoxy)-2,2-dimethylpropane-1,1-diamine

1-(1,1-diamino-2,2-dimethylpropoxy)-2,2-dimethylpropane-1,1-diamine (PubChem CID 87415655) has the molecular formula C10H26N4O and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-(1,1-diamino-2,2-dimethylpropoxy)-2,2-dimethylpropane-1,1-diamine.

Molecular Properties

Compound Name1-(1,1-diamino-2,2-dimethylpropoxy)-2,2-dimethylpropane-1,1-diamine
PubChem CID87415655
Molecular FormulaC10H26N4O
Molecular Weight218.34 g/mol
Exact Mass218.21
IUPAC Name1-(1,1-diamino-2,2-dimethylpropoxy)-2,2-dimethylpropane-1,1-diamine
SMILESCC(C)(C)C(N)(N)OC(N)(N)C(C)(C)C
InChIInChI=1S/C10H26N4O/c1-7(2,3)9(11,12)15-10(13,14)8(4,5)6/h11-14H2,1-6H3
InChIKeyIJPSLSHLZVYMPZ-UHFFFAOYSA-N
XLogP0.24
TPSA113.31 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 50.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 19360642
CID 19360642
CID 87415803
CID 87415803

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-diamino-2,2-dimethylpropoxy)-2,2-dimethylpropane-1,1-diamine?
The IUPAC name of 1-(1,1-diamino-2,2-dimethylpropoxy)-2,2-dimethylpropane-1,1-diamine (CID 87415655) is 1-(1,1-diamino-2,2-dimethylpropoxy)-2,2-dimethylpropane-1,1-diamine.
What is the SMILES notation for 1-(1,1-diamino-2,2-dimethylpropoxy)-2,2-dimethylpropane-1,1-diamine?
The canonical SMILES for 1-(1,1-diamino-2,2-dimethylpropoxy)-2,2-dimethylpropane-1,1-diamine is CC(C)(C)C(N)(N)OC(N)(N)C(C)(C)C.
What is the InChIKey of 1-(1,1-diamino-2,2-dimethylpropoxy)-2,2-dimethylpropane-1,1-diamine?
The InChIKey is IJPSLSHLZVYMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H26N4O/c1-7(2,3)9(11,12)15-10(13,14)8(4,5)6/h11-14H2,1-6H3.
What are the key properties of 1-(1,1-diamino-2,2-dimethylpropoxy)-2,2-dimethylpropane-1,1-diamine?
1-(1,1-diamino-2,2-dimethylpropoxy)-2,2-dimethylpropane-1,1-diamine has a molecular weight of 218.34 g/mol, XLogP of 0.24, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-diamino-2,2-dimethylpropoxy)-2,2-dimethylpropane-1,1-diamine is sourced from PubChem (CID 87415655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).