2-N-butan-2-yl-2-N-ethylpentane-2,3-diamine

C11H26N2 — CID 43274497

IUPAC2-N-butan-2-yl-2-N-ethylpentane-2,3-diamine
SMILESCCC(N)C(C)N(CC)C(C)CC
InChIInChI=1S/C11H26N2/c1-6-9(4)13(8-3)10(5)11(12)7-2/h9-11H,6-8,12H2,1-5H3
InChIKeyKJPDGTQMFAREBD-UHFFFAOYSA-N
MW186.34 g/mol
LogP2.23
Rot. Bonds6

About 2-N-butan-2-yl-2-N-ethylpentane-2,3-diamine

2-N-butan-2-yl-2-N-ethylpentane-2,3-diamine (PubChem CID 43274497) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is 2-N-butan-2-yl-2-N-ethylpentane-2,3-diamine.

Molecular Properties

Compound Name2-N-butan-2-yl-2-N-ethylpentane-2,3-diamine
PubChem CID43274497
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC Name2-N-butan-2-yl-2-N-ethylpentane-2,3-diamine
SMILESCCC(N)C(C)N(CC)C(C)CC
InChIInChI=1S/C11H26N2/c1-6-9(4)13(8-3)10(5)11(12)7-2/h9-11H,6-8,12H2,1-5H3
InChIKeyKJPDGTQMFAREBD-UHFFFAOYSA-N
XLogP2.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-N-butan-2-yl-2-N-ethylpentane-2,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N-butan-2-yl-2-N-ethylpentane-2,3-diamine?
The IUPAC name of 2-N-butan-2-yl-2-N-ethylpentane-2,3-diamine (CID 43274497) is 2-N-butan-2-yl-2-N-ethylpentane-2,3-diamine.
What is the SMILES notation for 2-N-butan-2-yl-2-N-ethylpentane-2,3-diamine?
The canonical SMILES for 2-N-butan-2-yl-2-N-ethylpentane-2,3-diamine is CCC(N)C(C)N(CC)C(C)CC.
What is the InChIKey of 2-N-butan-2-yl-2-N-ethylpentane-2,3-diamine?
The InChIKey is KJPDGTQMFAREBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2/c1-6-9(4)13(8-3)10(5)11(12)7-2/h9-11H,6-8,12H2,1-5H3.
What are the key properties of 2-N-butan-2-yl-2-N-ethylpentane-2,3-diamine?
2-N-butan-2-yl-2-N-ethylpentane-2,3-diamine has a molecular weight of 186.34 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butan-2-yl-2-N-ethylpentane-2,3-diamine is sourced from PubChem (CID 43274497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).