1-N'-ethyl-1-N',2-dimethylpropane-1,1-diamine

C7H18N2 — CID 154977516

IUPAC1-N'-ethyl-1-N',2-dimethylpropane-1,1-diamine
SMILESCCN(C)C(N)C(C)C
InChIInChI=1S/C7H18N2/c1-5-9(4)7(8)6(2)3/h6-7H,5,8H2,1-4H3
InChIKeyKPQRFVIQMOZGBT-UHFFFAOYSA-N
MW130.23 g/mol
LogP0.88
Rot. Bonds3

About 1-N'-ethyl-1-N',2-dimethylpropane-1,1-diamine

1-N'-ethyl-1-N',2-dimethylpropane-1,1-diamine (PubChem CID 154977516) has the molecular formula C7H18N2 and a molecular weight of 130.23 g/mol. Its IUPAC name is 1-N'-ethyl-1-N',2-dimethylpropane-1,1-diamine.

Molecular Properties

Compound Name1-N'-ethyl-1-N',2-dimethylpropane-1,1-diamine
PubChem CID154977516
Molecular FormulaC7H18N2
Molecular Weight130.23 g/mol
Exact Mass130.15
IUPAC Name1-N'-ethyl-1-N',2-dimethylpropane-1,1-diamine
SMILESCCN(C)C(N)C(C)C
InChIInChI=1S/C7H18N2/c1-5-9(4)7(8)6(2)3/h6-7H,5,8H2,1-4H3
InChIKeyKPQRFVIQMOZGBT-UHFFFAOYSA-N
XLogP0.88
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.23
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1-N'-ethyl-1-N',2-dimethylpropane-1,1-diamine?
The IUPAC name of 1-N'-ethyl-1-N',2-dimethylpropane-1,1-diamine (CID 154977516) is 1-N'-ethyl-1-N',2-dimethylpropane-1,1-diamine.
What is the SMILES notation for 1-N'-ethyl-1-N',2-dimethylpropane-1,1-diamine?
The canonical SMILES for 1-N'-ethyl-1-N',2-dimethylpropane-1,1-diamine is CCN(C)C(N)C(C)C.
What is the InChIKey of 1-N'-ethyl-1-N',2-dimethylpropane-1,1-diamine?
The InChIKey is KPQRFVIQMOZGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2/c1-5-9(4)7(8)6(2)3/h6-7H,5,8H2,1-4H3.
What are the key properties of 1-N'-ethyl-1-N',2-dimethylpropane-1,1-diamine?
1-N'-ethyl-1-N',2-dimethylpropane-1,1-diamine has a molecular weight of 130.23 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-ethyl-1-N',2-dimethylpropane-1,1-diamine is sourced from PubChem (CID 154977516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).