2-N-ethyl-1-N-(2-methylpentan-3-yl)propane-1,2-diamine

C11H26N2 — CID 154691714

IUPAC2-N-ethyl-1-N-(2-methylpentan-3-yl)propane-1,2-diamine
SMILESCCNC(C)CNC(CC)C(C)C
InChIInChI=1S/C11H26N2/c1-6-11(9(3)4)13-8-10(5)12-7-2/h9-13H,6-8H2,1-5H3
InChIKeyQUGQCYSERYLSOL-UHFFFAOYSA-N
MW186.34 g/mol
LogP2.01
Rot. Bonds7

About 2-N-ethyl-1-N-(2-methylpentan-3-yl)propane-1,2-diamine

2-N-ethyl-1-N-(2-methylpentan-3-yl)propane-1,2-diamine (PubChem CID 154691714) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is 2-N-ethyl-1-N-(2-methylpentan-3-yl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-1-N-(2-methylpentan-3-yl)propane-1,2-diamine
PubChem CID154691714
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC Name2-N-ethyl-1-N-(2-methylpentan-3-yl)propane-1,2-diamine
SMILESCCNC(C)CNC(CC)C(C)C
InChIInChI=1S/C11H26N2/c1-6-11(9(3)4)13-8-10(5)12-7-2/h9-13H,6-8H2,1-5H3
InChIKeyQUGQCYSERYLSOL-UHFFFAOYSA-N
XLogP2.01
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-1-N-(2-methylpentan-3-yl)propane-1,2-diamine?
The IUPAC name of 2-N-ethyl-1-N-(2-methylpentan-3-yl)propane-1,2-diamine (CID 154691714) is 2-N-ethyl-1-N-(2-methylpentan-3-yl)propane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-1-N-(2-methylpentan-3-yl)propane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-1-N-(2-methylpentan-3-yl)propane-1,2-diamine is CCNC(C)CNC(CC)C(C)C.
What is the InChIKey of 2-N-ethyl-1-N-(2-methylpentan-3-yl)propane-1,2-diamine?
The InChIKey is QUGQCYSERYLSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2/c1-6-11(9(3)4)13-8-10(5)12-7-2/h9-13H,6-8H2,1-5H3.
What are the key properties of 2-N-ethyl-1-N-(2-methylpentan-3-yl)propane-1,2-diamine?
2-N-ethyl-1-N-(2-methylpentan-3-yl)propane-1,2-diamine has a molecular weight of 186.34 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-1-N-(2-methylpentan-3-yl)propane-1,2-diamine is sourced from PubChem (CID 154691714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).