2,4-diethyl-N-propylhex-2-en-1-amine

C13H27N — CID 79329773

IUPAC2,4-diethyl-N-propylhex-2-en-1-amine
SMILESCCCNCC(=CC(CC)CC)CC
InChIInChI=1S/C13H27N/c1-5-9-14-11-13(8-4)10-12(6-2)7-3/h10,12,14H,5-9,11H2,1-4H3
InChIKeyDZUWVPMFRNBZQN-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.76
Rot. Bonds8

About 2,4-diethyl-N-propylhex-2-en-1-amine

2,4-diethyl-N-propylhex-2-en-1-amine (PubChem CID 79329773) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 2,4-diethyl-N-propylhex-2-en-1-amine.

Molecular Properties

Compound Name2,4-diethyl-N-propylhex-2-en-1-amine
PubChem CID79329773
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name2,4-diethyl-N-propylhex-2-en-1-amine
SMILESCCCNCC(=CC(CC)CC)CC
InChIInChI=1S/C13H27N/c1-5-9-14-11-13(8-4)10-12(6-2)7-3/h10,12,14H,5-9,11H2,1-4H3
InChIKeyDZUWVPMFRNBZQN-UHFFFAOYSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-diethyl-N-propylhex-2-en-1-amine?
The IUPAC name of 2,4-diethyl-N-propylhex-2-en-1-amine (CID 79329773) is 2,4-diethyl-N-propylhex-2-en-1-amine.
What is the SMILES notation for 2,4-diethyl-N-propylhex-2-en-1-amine?
The canonical SMILES for 2,4-diethyl-N-propylhex-2-en-1-amine is CCCNCC(=CC(CC)CC)CC.
What is the InChIKey of 2,4-diethyl-N-propylhex-2-en-1-amine?
The InChIKey is DZUWVPMFRNBZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-5-9-14-11-13(8-4)10-12(6-2)7-3/h10,12,14H,5-9,11H2,1-4H3.
What are the key properties of 2,4-diethyl-N-propylhex-2-en-1-amine?
2,4-diethyl-N-propylhex-2-en-1-amine has a molecular weight of 197.37 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethyl-N-propylhex-2-en-1-amine is sourced from PubChem (CID 79329773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).