2-N,2-N-diethyl-2-methyl-5-methylideneheptane-2,3-diamine

C13H28N2 — CID 79052870

IUPAC2-N,2-N-diethyl-2-methyl-5-methylideneheptane-2,3-diamine
SMILESC=C(CC)CC(N)C(C)(C)N(CC)CC
InChIInChI=1S/C13H28N2/c1-7-11(4)10-12(14)13(5,6)15(8-2)9-3/h12H,4,7-10,14H2,1-3,5-6H3
InChIKeyCFELHFUQEVATQS-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.79
Rot. Bonds7

About 2-N,2-N-diethyl-2-methyl-5-methylideneheptane-2,3-diamine

2-N,2-N-diethyl-2-methyl-5-methylideneheptane-2,3-diamine (PubChem CID 79052870) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 2-N,2-N-diethyl-2-methyl-5-methylideneheptane-2,3-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-2-methyl-5-methylideneheptane-2,3-diamine
PubChem CID79052870
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name2-N,2-N-diethyl-2-methyl-5-methylideneheptane-2,3-diamine
SMILESC=C(CC)CC(N)C(C)(C)N(CC)CC
InChIInChI=1S/C13H28N2/c1-7-11(4)10-12(14)13(5,6)15(8-2)9-3/h12H,4,7-10,14H2,1-3,5-6H3
InChIKeyCFELHFUQEVATQS-UHFFFAOYSA-N
XLogP2.79
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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 2-N,2-N-diethyl-2-methyl-5-methylideneheptane-2,3-diamine?
The IUPAC name of 2-N,2-N-diethyl-2-methyl-5-methylideneheptane-2,3-diamine (CID 79052870) is 2-N,2-N-diethyl-2-methyl-5-methylideneheptane-2,3-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-2-methyl-5-methylideneheptane-2,3-diamine?
The canonical SMILES for 2-N,2-N-diethyl-2-methyl-5-methylideneheptane-2,3-diamine is C=C(CC)CC(N)C(C)(C)N(CC)CC.
What is the InChIKey of 2-N,2-N-diethyl-2-methyl-5-methylideneheptane-2,3-diamine?
The InChIKey is CFELHFUQEVATQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-7-11(4)10-12(14)13(5,6)15(8-2)9-3/h12H,4,7-10,14H2,1-3,5-6H3.
What are the key properties of 2-N,2-N-diethyl-2-methyl-5-methylideneheptane-2,3-diamine?
2-N,2-N-diethyl-2-methyl-5-methylideneheptane-2,3-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-2-methyl-5-methylideneheptane-2,3-diamine is sourced from PubChem (CID 79052870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).