3-N-ethyl-2-N,2-N,2-trimethyl-5-methylideneheptane-2,3-diamine

C13H28N2 — CID 79052919

IUPAC3-N-ethyl-2-N,2-N,2-trimethyl-5-methylideneheptane-2,3-diamine
SMILESC=C(CC)CC(NCC)C(C)(C)N(C)C
InChIInChI=1S/C13H28N2/c1-8-11(3)10-12(14-9-2)13(4,5)15(6)7/h12,14H,3,8-10H2,1-2,4-7H3
InChIKeyINZMTTFJGWVCCP-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.66
Rot. Bonds7

About 3-N-ethyl-2-N,2-N,2-trimethyl-5-methylideneheptane-2,3-diamine

3-N-ethyl-2-N,2-N,2-trimethyl-5-methylideneheptane-2,3-diamine (PubChem CID 79052919) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 3-N-ethyl-2-N,2-N,2-trimethyl-5-methylideneheptane-2,3-diamine.

Molecular Properties

Compound Name3-N-ethyl-2-N,2-N,2-trimethyl-5-methylideneheptane-2,3-diamine
PubChem CID79052919
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name3-N-ethyl-2-N,2-N,2-trimethyl-5-methylideneheptane-2,3-diamine
SMILESC=C(CC)CC(NCC)C(C)(C)N(C)C
InChIInChI=1S/C13H28N2/c1-8-11(3)10-12(14-9-2)13(4,5)15(6)7/h12,14H,3,8-10H2,1-2,4-7H3
InChIKeyINZMTTFJGWVCCP-UHFFFAOYSA-N
XLogP2.66
TPSA15.27 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 ≤ 52.66
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 3-N-ethyl-2-N,2-N,2-trimethyl-5-methylideneheptane-2,3-diamine?
The IUPAC name of 3-N-ethyl-2-N,2-N,2-trimethyl-5-methylideneheptane-2,3-diamine (CID 79052919) is 3-N-ethyl-2-N,2-N,2-trimethyl-5-methylideneheptane-2,3-diamine.
What is the SMILES notation for 3-N-ethyl-2-N,2-N,2-trimethyl-5-methylideneheptane-2,3-diamine?
The canonical SMILES for 3-N-ethyl-2-N,2-N,2-trimethyl-5-methylideneheptane-2,3-diamine is C=C(CC)CC(NCC)C(C)(C)N(C)C.
What is the InChIKey of 3-N-ethyl-2-N,2-N,2-trimethyl-5-methylideneheptane-2,3-diamine?
The InChIKey is INZMTTFJGWVCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-8-11(3)10-12(14-9-2)13(4,5)15(6)7/h12,14H,3,8-10H2,1-2,4-7H3.
What are the key properties of 3-N-ethyl-2-N,2-N,2-trimethyl-5-methylideneheptane-2,3-diamine?
3-N-ethyl-2-N,2-N,2-trimethyl-5-methylideneheptane-2,3-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-2-N,2-N,2-trimethyl-5-methylideneheptane-2,3-diamine is sourced from PubChem (CID 79052919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).