2-ethyl-N,N',2-trimethyl-N'-propan-2-ylpropane-1,3-diamine

C11H26N2 — CID 62263389

IUPAC2-ethyl-N,N',2-trimethyl-N'-propan-2-ylpropane-1,3-diamine
SMILESCCC(C)(CNC)CN(C)C(C)C
InChIInChI=1S/C11H26N2/c1-7-11(4,8-12-5)9-13(6)10(2)3/h10,12H,7-9H2,1-6H3
InChIKeyKEPXQSZKYDBBNT-UHFFFAOYSA-N
MW186.34 g/mol
LogP1.96
Rot. Bonds6

About 2-ethyl-N,N',2-trimethyl-N'-propan-2-ylpropane-1,3-diamine

2-ethyl-N,N',2-trimethyl-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 62263389) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is 2-ethyl-N,N',2-trimethyl-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound Name2-ethyl-N,N',2-trimethyl-N'-propan-2-ylpropane-1,3-diamine
PubChem CID62263389
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC Name2-ethyl-N,N',2-trimethyl-N'-propan-2-ylpropane-1,3-diamine
SMILESCCC(C)(CNC)CN(C)C(C)C
InChIInChI=1S/C11H26N2/c1-7-11(4,8-12-5)9-13(6)10(2)3/h10,12H,7-9H2,1-6H3
InChIKeyKEPXQSZKYDBBNT-UHFFFAOYSA-N
XLogP1.96
TPSA15.27 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 ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N,N',2-trimethyl-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of 2-ethyl-N,N',2-trimethyl-N'-propan-2-ylpropane-1,3-diamine (CID 62263389) is 2-ethyl-N,N',2-trimethyl-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for 2-ethyl-N,N',2-trimethyl-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for 2-ethyl-N,N',2-trimethyl-N'-propan-2-ylpropane-1,3-diamine is CCC(C)(CNC)CN(C)C(C)C.
What is the InChIKey of 2-ethyl-N,N',2-trimethyl-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is KEPXQSZKYDBBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2/c1-7-11(4,8-12-5)9-13(6)10(2)3/h10,12H,7-9H2,1-6H3.
What are the key properties of 2-ethyl-N,N',2-trimethyl-N'-propan-2-ylpropane-1,3-diamine?
2-ethyl-N,N',2-trimethyl-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 186.34 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N,N',2-trimethyl-N'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 62263389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).