3-N,3-N-diethyl-3-methyloct-7-ene-3,4-diamine

C13H28N2 — CID 79069138

IUPAC3-N,3-N-diethyl-3-methyloct-7-ene-3,4-diamine
SMILESC=CCCC(N)C(C)(CC)N(CC)CC
InChIInChI=1S/C13H28N2/c1-6-10-11-12(14)13(5,7-2)15(8-3)9-4/h6,12H,1,7-11,14H2,2-5H3
InChIKeyNCSODGQRAOHFLE-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.79
Rot. Bonds8

About 3-N,3-N-diethyl-3-methyloct-7-ene-3,4-diamine

3-N,3-N-diethyl-3-methyloct-7-ene-3,4-diamine (PubChem CID 79069138) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 3-N,3-N-diethyl-3-methyloct-7-ene-3,4-diamine.

Molecular Properties

Compound Name3-N,3-N-diethyl-3-methyloct-7-ene-3,4-diamine
PubChem CID79069138
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name3-N,3-N-diethyl-3-methyloct-7-ene-3,4-diamine
SMILESC=CCCC(N)C(C)(CC)N(CC)CC
InChIInChI=1S/C13H28N2/c1-6-10-11-12(14)13(5,7-2)15(8-3)9-4/h6,12H,1,7-11,14H2,2-5H3
InChIKeyNCSODGQRAOHFLE-UHFFFAOYSA-N
XLogP2.79
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-diethyl-3-methyloct-7-ene-3,4-diamine?
The IUPAC name of 3-N,3-N-diethyl-3-methyloct-7-ene-3,4-diamine (CID 79069138) is 3-N,3-N-diethyl-3-methyloct-7-ene-3,4-diamine.
What is the SMILES notation for 3-N,3-N-diethyl-3-methyloct-7-ene-3,4-diamine?
The canonical SMILES for 3-N,3-N-diethyl-3-methyloct-7-ene-3,4-diamine is C=CCCC(N)C(C)(CC)N(CC)CC.
What is the InChIKey of 3-N,3-N-diethyl-3-methyloct-7-ene-3,4-diamine?
The InChIKey is NCSODGQRAOHFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-6-10-11-12(14)13(5,7-2)15(8-3)9-4/h6,12H,1,7-11,14H2,2-5H3.
What are the key properties of 3-N,3-N-diethyl-3-methyloct-7-ene-3,4-diamine?
3-N,3-N-diethyl-3-methyloct-7-ene-3,4-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.79, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-diethyl-3-methyloct-7-ene-3,4-diamine is sourced from PubChem (CID 79069138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).