4-N,4-N-diethyl-2,4-dimethyl-3-N-propylhex-1-ene-3,4-diamine

C15H32N2 — CID 79178206

IUPAC4-N,4-N-diethyl-2,4-dimethyl-3-N-propylhex-1-ene-3,4-diamine
SMILESC=C(C)C(NCCC)C(C)(CC)N(CC)CC
InChIInChI=1S/C15H32N2/c1-8-12-16-14(13(5)6)15(7,9-2)17(10-3)11-4/h14,16H,5,8-12H2,1-4,6-7H3
InChIKeyFFESOMISPGPDCQ-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.44
Rot. Bonds9

About 4-N,4-N-diethyl-2,4-dimethyl-3-N-propylhex-1-ene-3,4-diamine

4-N,4-N-diethyl-2,4-dimethyl-3-N-propylhex-1-ene-3,4-diamine (PubChem CID 79178206) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 4-N,4-N-diethyl-2,4-dimethyl-3-N-propylhex-1-ene-3,4-diamine.

Molecular Properties

Compound Name4-N,4-N-diethyl-2,4-dimethyl-3-N-propylhex-1-ene-3,4-diamine
PubChem CID79178206
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name4-N,4-N-diethyl-2,4-dimethyl-3-N-propylhex-1-ene-3,4-diamine
SMILESC=C(C)C(NCCC)C(C)(CC)N(CC)CC
InChIInChI=1S/C15H32N2/c1-8-12-16-14(13(5)6)15(7,9-2)17(10-3)11-4/h14,16H,5,8-12H2,1-4,6-7H3
InChIKeyFFESOMISPGPDCQ-UHFFFAOYSA-N
XLogP3.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
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 4-N,4-N-diethyl-2,4-dimethyl-3-N-propylhex-1-ene-3,4-diamine?
The IUPAC name of 4-N,4-N-diethyl-2,4-dimethyl-3-N-propylhex-1-ene-3,4-diamine (CID 79178206) is 4-N,4-N-diethyl-2,4-dimethyl-3-N-propylhex-1-ene-3,4-diamine.
What is the SMILES notation for 4-N,4-N-diethyl-2,4-dimethyl-3-N-propylhex-1-ene-3,4-diamine?
The canonical SMILES for 4-N,4-N-diethyl-2,4-dimethyl-3-N-propylhex-1-ene-3,4-diamine is C=C(C)C(NCCC)C(C)(CC)N(CC)CC.
What is the InChIKey of 4-N,4-N-diethyl-2,4-dimethyl-3-N-propylhex-1-ene-3,4-diamine?
The InChIKey is FFESOMISPGPDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-8-12-16-14(13(5)6)15(7,9-2)17(10-3)11-4/h14,16H,5,8-12H2,1-4,6-7H3.
What are the key properties of 4-N,4-N-diethyl-2,4-dimethyl-3-N-propylhex-1-ene-3,4-diamine?
4-N,4-N-diethyl-2,4-dimethyl-3-N-propylhex-1-ene-3,4-diamine has a molecular weight of 240.43 g/mol, XLogP of 3.44, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethyl-2,4-dimethyl-3-N-propylhex-1-ene-3,4-diamine is sourced from PubChem (CID 79178206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).