2-ethyl-1-N,1-N,3-trimethylbutane-1,3-diamine

C9H22N2 — CID 88769635

IUPAC2-ethyl-1-N,1-N,3-trimethylbutane-1,3-diamine
SMILESCCC(CN(C)C)C(C)(C)N
InChIInChI=1S/C9H22N2/c1-6-8(7-11(4)5)9(2,3)10/h8H,6-7,10H2,1-5H3
InChIKeyOWQOEVMUCZPEHV-UHFFFAOYSA-N
MW158.29 g/mol
LogP1.31
Rot. Bonds4

About 2-ethyl-1-N,1-N,3-trimethylbutane-1,3-diamine

2-ethyl-1-N,1-N,3-trimethylbutane-1,3-diamine (PubChem CID 88769635) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is 2-ethyl-1-N,1-N,3-trimethylbutane-1,3-diamine.

Molecular Properties

Compound Name2-ethyl-1-N,1-N,3-trimethylbutane-1,3-diamine
PubChem CID88769635
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC Name2-ethyl-1-N,1-N,3-trimethylbutane-1,3-diamine
SMILESCCC(CN(C)C)C(C)(C)N
InChIInChI=1S/C9H22N2/c1-6-8(7-11(4)5)9(2,3)10/h8H,6-7,10H2,1-5H3
InChIKeyOWQOEVMUCZPEHV-UHFFFAOYSA-N
XLogP1.31
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.29
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-N,1-N,3-trimethylbutane-1,3-diamine?
The IUPAC name of 2-ethyl-1-N,1-N,3-trimethylbutane-1,3-diamine (CID 88769635) is 2-ethyl-1-N,1-N,3-trimethylbutane-1,3-diamine.
What is the SMILES notation for 2-ethyl-1-N,1-N,3-trimethylbutane-1,3-diamine?
The canonical SMILES for 2-ethyl-1-N,1-N,3-trimethylbutane-1,3-diamine is CCC(CN(C)C)C(C)(C)N.
What is the InChIKey of 2-ethyl-1-N,1-N,3-trimethylbutane-1,3-diamine?
The InChIKey is OWQOEVMUCZPEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2/c1-6-8(7-11(4)5)9(2,3)10/h8H,6-7,10H2,1-5H3.
What are the key properties of 2-ethyl-1-N,1-N,3-trimethylbutane-1,3-diamine?
2-ethyl-1-N,1-N,3-trimethylbutane-1,3-diamine has a molecular weight of 158.29 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-N,1-N,3-trimethylbutane-1,3-diamine is sourced from PubChem (CID 88769635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).