1-N,1-N,3-N-triethyl-5-methylhex-4-ene-1,3-diamine

C13H28N2 — CID 79179939

IUPAC1-N,1-N,3-N-triethyl-5-methylhex-4-ene-1,3-diamine
SMILESCCNC(C=C(C)C)CCN(CC)CC
InChIInChI=1S/C13H28N2/c1-6-14-13(11-12(4)5)9-10-15(7-2)8-3/h11,13-14H,6-10H2,1-5H3
InChIKeyVMBUVIIRUMLGEG-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.66
Rot. Bonds8

About 1-N,1-N,3-N-triethyl-5-methylhex-4-ene-1,3-diamine

1-N,1-N,3-N-triethyl-5-methylhex-4-ene-1,3-diamine (PubChem CID 79179939) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-N,1-N,3-N-triethyl-5-methylhex-4-ene-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N,3-N-triethyl-5-methylhex-4-ene-1,3-diamine
PubChem CID79179939
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name1-N,1-N,3-N-triethyl-5-methylhex-4-ene-1,3-diamine
SMILESCCNC(C=C(C)C)CCN(CC)CC
InChIInChI=1S/C13H28N2/c1-6-14-13(11-12(4)5)9-10-15(7-2)8-3/h11,13-14H,6-10H2,1-5H3
InChIKeyVMBUVIIRUMLGEG-UHFFFAOYSA-N
XLogP2.66
TPSA15.27 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 ≤ 52.66
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 1-N,1-N,3-N-triethyl-5-methylhex-4-ene-1,3-diamine?
The IUPAC name of 1-N,1-N,3-N-triethyl-5-methylhex-4-ene-1,3-diamine (CID 79179939) is 1-N,1-N,3-N-triethyl-5-methylhex-4-ene-1,3-diamine.
What is the SMILES notation for 1-N,1-N,3-N-triethyl-5-methylhex-4-ene-1,3-diamine?
The canonical SMILES for 1-N,1-N,3-N-triethyl-5-methylhex-4-ene-1,3-diamine is CCNC(C=C(C)C)CCN(CC)CC.
What is the InChIKey of 1-N,1-N,3-N-triethyl-5-methylhex-4-ene-1,3-diamine?
The InChIKey is VMBUVIIRUMLGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-6-14-13(11-12(4)5)9-10-15(7-2)8-3/h11,13-14H,6-10H2,1-5H3.
What are the key properties of 1-N,1-N,3-N-triethyl-5-methylhex-4-ene-1,3-diamine?
1-N,1-N,3-N-triethyl-5-methylhex-4-ene-1,3-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,3-N-triethyl-5-methylhex-4-ene-1,3-diamine is sourced from PubChem (CID 79179939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).