2-butyl-2-ethylpentane-1,5-diamine

C11H26N2 — CID 4983344

IUPAC2-butyl-2-ethylpentane-1,5-diamine
SMILESCCCCC(CC)(CN)CCCN
InChIInChI=1S/C11H26N2/c1-3-5-7-11(4-2,10-13)8-6-9-12/h3-10,12-13H2,1-2H3
InChIKeyNDXNCTAJOQSKIO-UHFFFAOYSA-N
MW186.34 g/mol
LogP2.27
Rot. Bonds8

About 2-butyl-2-ethylpentane-1,5-diamine

2-butyl-2-ethylpentane-1,5-diamine (PubChem CID 4983344) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is 2-butyl-2-ethylpentane-1,5-diamine.

Molecular Properties

Compound Name2-butyl-2-ethylpentane-1,5-diamine
PubChem CID4983344
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC Name2-butyl-2-ethylpentane-1,5-diamine
SMILESCCCCC(CC)(CN)CCCN
InChIInChI=1S/C11H26N2/c1-3-5-7-11(4-2,10-13)8-6-9-12/h3-10,12-13H2,1-2H3
InChIKeyNDXNCTAJOQSKIO-UHFFFAOYSA-N
XLogP2.27
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-2-ethylpentane-1,5-diamine?
The IUPAC name of 2-butyl-2-ethylpentane-1,5-diamine (CID 4983344) is 2-butyl-2-ethylpentane-1,5-diamine.
What is the SMILES notation for 2-butyl-2-ethylpentane-1,5-diamine?
The canonical SMILES for 2-butyl-2-ethylpentane-1,5-diamine is CCCCC(CC)(CN)CCCN.
What is the InChIKey of 2-butyl-2-ethylpentane-1,5-diamine?
The InChIKey is NDXNCTAJOQSKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2/c1-3-5-7-11(4-2,10-13)8-6-9-12/h3-10,12-13H2,1-2H3.
What are the key properties of 2-butyl-2-ethylpentane-1,5-diamine?
2-butyl-2-ethylpentane-1,5-diamine has a molecular weight of 186.34 g/mol, XLogP of 2.27, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-2-ethylpentane-1,5-diamine is sourced from PubChem (CID 4983344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).