1-N-ethyl-2,2-dimethyl-1-N'-(2-methylbutan-2-yl)propane-1,1-diamine

C12H28N2 — CID 154626390

IUPAC1-N-ethyl-2,2-dimethyl-1-N'-(2-methylbutan-2-yl)propane-1,1-diamine
SMILESCCNC(NC(C)(C)CC)C(C)(C)C
InChIInChI=1S/C12H28N2/c1-8-12(6,7)14-10(13-9-2)11(3,4)5/h10,13-14H,8-9H2,1-7H3
InChIKeyCQSCMMZQAGFWAM-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.75
Rot. Bonds5

About 1-N-ethyl-2,2-dimethyl-1-N'-(2-methylbutan-2-yl)propane-1,1-diamine

1-N-ethyl-2,2-dimethyl-1-N'-(2-methylbutan-2-yl)propane-1,1-diamine (PubChem CID 154626390) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is 1-N-ethyl-2,2-dimethyl-1-N'-(2-methylbutan-2-yl)propane-1,1-diamine.

Molecular Properties

Compound Name1-N-ethyl-2,2-dimethyl-1-N'-(2-methylbutan-2-yl)propane-1,1-diamine
PubChem CID154626390
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC Name1-N-ethyl-2,2-dimethyl-1-N'-(2-methylbutan-2-yl)propane-1,1-diamine
SMILESCCNC(NC(C)(C)CC)C(C)(C)C
InChIInChI=1S/C12H28N2/c1-8-12(6,7)14-10(13-9-2)11(3,4)5/h10,13-14H,8-9H2,1-7H3
InChIKeyCQSCMMZQAGFWAM-UHFFFAOYSA-N
XLogP2.75
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.75
H-Bond Donors ≤ 52
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-2,2-dimethyl-1-N'-(2-methylbutan-2-yl)propane-1,1-diamine?
The IUPAC name of 1-N-ethyl-2,2-dimethyl-1-N'-(2-methylbutan-2-yl)propane-1,1-diamine (CID 154626390) is 1-N-ethyl-2,2-dimethyl-1-N'-(2-methylbutan-2-yl)propane-1,1-diamine.
What is the SMILES notation for 1-N-ethyl-2,2-dimethyl-1-N'-(2-methylbutan-2-yl)propane-1,1-diamine?
The canonical SMILES for 1-N-ethyl-2,2-dimethyl-1-N'-(2-methylbutan-2-yl)propane-1,1-diamine is CCNC(NC(C)(C)CC)C(C)(C)C.
What is the InChIKey of 1-N-ethyl-2,2-dimethyl-1-N'-(2-methylbutan-2-yl)propane-1,1-diamine?
The InChIKey is CQSCMMZQAGFWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-8-12(6,7)14-10(13-9-2)11(3,4)5/h10,13-14H,8-9H2,1-7H3.
What are the key properties of 1-N-ethyl-2,2-dimethyl-1-N'-(2-methylbutan-2-yl)propane-1,1-diamine?
1-N-ethyl-2,2-dimethyl-1-N'-(2-methylbutan-2-yl)propane-1,1-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-2,2-dimethyl-1-N'-(2-methylbutan-2-yl)propane-1,1-diamine is sourced from PubChem (CID 154626390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).