1-N-tert-butyl-3-N-ethyl-1-N,3-N-dimethylbutane-1,3-diamine

C12H28N2 — CID 129302510

IUPAC1-N-tert-butyl-3-N-ethyl-1-N,3-N-dimethylbutane-1,3-diamine
SMILESCCN(C)C(C)CCN(C)C(C)(C)C
InChIInChI=1S/C12H28N2/c1-8-13(6)11(2)9-10-14(7)12(3,4)5/h11H,8-10H2,1-7H3
InChIKeyAXUWYBFNGFHVRG-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.45
Rot. Bonds5

About 1-N-tert-butyl-3-N-ethyl-1-N,3-N-dimethylbutane-1,3-diamine

1-N-tert-butyl-3-N-ethyl-1-N,3-N-dimethylbutane-1,3-diamine (PubChem CID 129302510) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is 1-N-tert-butyl-3-N-ethyl-1-N,3-N-dimethylbutane-1,3-diamine.

Molecular Properties

Compound Name1-N-tert-butyl-3-N-ethyl-1-N,3-N-dimethylbutane-1,3-diamine
PubChem CID129302510
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC Name1-N-tert-butyl-3-N-ethyl-1-N,3-N-dimethylbutane-1,3-diamine
SMILESCCN(C)C(C)CCN(C)C(C)(C)C
InChIInChI=1S/C12H28N2/c1-8-13(6)11(2)9-10-14(7)12(3,4)5/h11H,8-10H2,1-7H3
InChIKeyAXUWYBFNGFHVRG-UHFFFAOYSA-N
XLogP2.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-tert-butyl-3-N-ethyl-1-N,3-N-dimethylbutane-1,3-diamine?
The IUPAC name of 1-N-tert-butyl-3-N-ethyl-1-N,3-N-dimethylbutane-1,3-diamine (CID 129302510) is 1-N-tert-butyl-3-N-ethyl-1-N,3-N-dimethylbutane-1,3-diamine.
What is the SMILES notation for 1-N-tert-butyl-3-N-ethyl-1-N,3-N-dimethylbutane-1,3-diamine?
The canonical SMILES for 1-N-tert-butyl-3-N-ethyl-1-N,3-N-dimethylbutane-1,3-diamine is CCN(C)C(C)CCN(C)C(C)(C)C.
What is the InChIKey of 1-N-tert-butyl-3-N-ethyl-1-N,3-N-dimethylbutane-1,3-diamine?
The InChIKey is AXUWYBFNGFHVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-8-13(6)11(2)9-10-14(7)12(3,4)5/h11H,8-10H2,1-7H3.
What are the key properties of 1-N-tert-butyl-3-N-ethyl-1-N,3-N-dimethylbutane-1,3-diamine?
1-N-tert-butyl-3-N-ethyl-1-N,3-N-dimethylbutane-1,3-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-tert-butyl-3-N-ethyl-1-N,3-N-dimethylbutane-1,3-diamine is sourced from PubChem (CID 129302510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).