2-N,2-N-diethyl-2-methyl-3-N-propylhept-6-ene-2,3-diamine

C15H32N2 — CID 79056342

IUPAC2-N,2-N-diethyl-2-methyl-3-N-propylhept-6-ene-2,3-diamine
SMILESC=CCCC(NCCC)C(C)(C)N(CC)CC
InChIInChI=1S/C15H32N2/c1-7-11-12-14(16-13-8-2)15(5,6)17(9-3)10-4/h7,14,16H,1,8-13H2,2-6H3
InChIKeyREACLQDOMPFHTG-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.44
Rot. Bonds10

About 2-N,2-N-diethyl-2-methyl-3-N-propylhept-6-ene-2,3-diamine

2-N,2-N-diethyl-2-methyl-3-N-propylhept-6-ene-2,3-diamine (PubChem CID 79056342) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 2-N,2-N-diethyl-2-methyl-3-N-propylhept-6-ene-2,3-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-2-methyl-3-N-propylhept-6-ene-2,3-diamine
PubChem CID79056342
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name2-N,2-N-diethyl-2-methyl-3-N-propylhept-6-ene-2,3-diamine
SMILESC=CCCC(NCCC)C(C)(C)N(CC)CC
InChIInChI=1S/C15H32N2/c1-7-11-12-14(16-13-8-2)15(5,6)17(9-3)10-4/h7,14,16H,1,8-13H2,2-6H3
InChIKeyREACLQDOMPFHTG-UHFFFAOYSA-N
XLogP3.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
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 2-N,2-N-diethyl-2-methyl-3-N-propylhept-6-ene-2,3-diamine?
The IUPAC name of 2-N,2-N-diethyl-2-methyl-3-N-propylhept-6-ene-2,3-diamine (CID 79056342) is 2-N,2-N-diethyl-2-methyl-3-N-propylhept-6-ene-2,3-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-2-methyl-3-N-propylhept-6-ene-2,3-diamine?
The canonical SMILES for 2-N,2-N-diethyl-2-methyl-3-N-propylhept-6-ene-2,3-diamine is C=CCCC(NCCC)C(C)(C)N(CC)CC.
What is the InChIKey of 2-N,2-N-diethyl-2-methyl-3-N-propylhept-6-ene-2,3-diamine?
The InChIKey is REACLQDOMPFHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-7-11-12-14(16-13-8-2)15(5,6)17(9-3)10-4/h7,14,16H,1,8-13H2,2-6H3.
What are the key properties of 2-N,2-N-diethyl-2-methyl-3-N-propylhept-6-ene-2,3-diamine?
2-N,2-N-diethyl-2-methyl-3-N-propylhept-6-ene-2,3-diamine has a molecular weight of 240.43 g/mol, XLogP of 3.44, 10 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-3-N-propylhept-6-ene-2,3-diamine is sourced from PubChem (CID 79056342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).