3-ethyl-3-N,3-N,6-trimethyl-4-N-propylhept-5-ene-3,4-diamine

C15H32N2 — CID 79178423

IUPAC3-ethyl-3-N,3-N,6-trimethyl-4-N-propylhept-5-ene-3,4-diamine
SMILESCCCNC(C=C(C)C)C(CC)(CC)N(C)C
InChIInChI=1S/C15H32N2/c1-8-11-16-14(12-13(4)5)15(9-2,10-3)17(6)7/h12,14,16H,8-11H2,1-7H3
InChIKeyHHFMUMILFPWFSA-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.44
Rot. Bonds8

About 3-ethyl-3-N,3-N,6-trimethyl-4-N-propylhept-5-ene-3,4-diamine

3-ethyl-3-N,3-N,6-trimethyl-4-N-propylhept-5-ene-3,4-diamine (PubChem CID 79178423) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 3-ethyl-3-N,3-N,6-trimethyl-4-N-propylhept-5-ene-3,4-diamine.

Molecular Properties

Compound Name3-ethyl-3-N,3-N,6-trimethyl-4-N-propylhept-5-ene-3,4-diamine
PubChem CID79178423
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name3-ethyl-3-N,3-N,6-trimethyl-4-N-propylhept-5-ene-3,4-diamine
SMILESCCCNC(C=C(C)C)C(CC)(CC)N(C)C
InChIInChI=1S/C15H32N2/c1-8-11-16-14(12-13(4)5)15(9-2,10-3)17(6)7/h12,14,16H,8-11H2,1-7H3
InChIKeyHHFMUMILFPWFSA-UHFFFAOYSA-N
XLogP3.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.44
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-ethyl-3-N,3-N,6-trimethyl-4-N-propylhept-5-ene-3,4-diamine?
The IUPAC name of 3-ethyl-3-N,3-N,6-trimethyl-4-N-propylhept-5-ene-3,4-diamine (CID 79178423) is 3-ethyl-3-N,3-N,6-trimethyl-4-N-propylhept-5-ene-3,4-diamine.
What is the SMILES notation for 3-ethyl-3-N,3-N,6-trimethyl-4-N-propylhept-5-ene-3,4-diamine?
The canonical SMILES for 3-ethyl-3-N,3-N,6-trimethyl-4-N-propylhept-5-ene-3,4-diamine is CCCNC(C=C(C)C)C(CC)(CC)N(C)C.
What is the InChIKey of 3-ethyl-3-N,3-N,6-trimethyl-4-N-propylhept-5-ene-3,4-diamine?
The InChIKey is HHFMUMILFPWFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-8-11-16-14(12-13(4)5)15(9-2,10-3)17(6)7/h12,14,16H,8-11H2,1-7H3.
What are the key properties of 3-ethyl-3-N,3-N,6-trimethyl-4-N-propylhept-5-ene-3,4-diamine?
3-ethyl-3-N,3-N,6-trimethyl-4-N-propylhept-5-ene-3,4-diamine has a molecular weight of 240.43 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-N,3-N,6-trimethyl-4-N-propylhept-5-ene-3,4-diamine is sourced from PubChem (CID 79178423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).