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

C9H22N2 — CID 26635

IUPAC2-ethyl-3-N-methylhexane-1,3-diamine
SMILESCCCC(NC)C(CC)CN
InChIInChI=1S/C9H22N2/c1-4-6-9(11-3)8(5-2)7-10/h8-9,11H,4-7,10H2,1-3H3
InChIKeyAZWUCUNMNBIVQG-UHFFFAOYSA-N
MW158.29 g/mol
LogP1.36
Rot. Bonds6

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

2-ethyl-3-N-methylhexane-1,3-diamine (PubChem CID 26635) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is 2-ethyl-3-N-methylhexane-1,3-diamine.

Molecular Properties

Compound Name2-ethyl-3-N-methylhexane-1,3-diamine
PubChem CID26635
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC Name2-ethyl-3-N-methylhexane-1,3-diamine
SMILESCCCC(NC)C(CC)CN
InChIInChI=1S/C9H22N2/c1-4-6-9(11-3)8(5-2)7-10/h8-9,11H,4-7,10H2,1-3H3
InChIKeyAZWUCUNMNBIVQG-UHFFFAOYSA-N
XLogP1.36
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.29
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-N-methylhexane-1,3-diamine?
The IUPAC name of 2-ethyl-3-N-methylhexane-1,3-diamine (CID 26635) is 2-ethyl-3-N-methylhexane-1,3-diamine.
What is the SMILES notation for 2-ethyl-3-N-methylhexane-1,3-diamine?
The canonical SMILES for 2-ethyl-3-N-methylhexane-1,3-diamine is CCCC(NC)C(CC)CN.
What is the InChIKey of 2-ethyl-3-N-methylhexane-1,3-diamine?
The InChIKey is AZWUCUNMNBIVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2/c1-4-6-9(11-3)8(5-2)7-10/h8-9,11H,4-7,10H2,1-3H3.
What are the key properties of 2-ethyl-3-N-methylhexane-1,3-diamine?
2-ethyl-3-N-methylhexane-1,3-diamine has a molecular weight of 158.29 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-N-methylhexane-1,3-diamine is sourced from PubChem (CID 26635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).