4-ethyl-2-methyl-N-propylhex-5-en-3-amine

C12H25N — CID 170847793

IUPAC4-ethyl-2-methyl-N-propylhex-5-en-3-amine
SMILESC=CC(CC)C(NCCC)C(C)C
InChIInChI=1S/C12H25N/c1-6-9-13-12(10(4)5)11(7-2)8-3/h7,10-13H,2,6,8-9H2,1,3-5H3
InChIKeyBMWTVWOFYWGDTQ-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.22
Rot. Bonds7

About 4-ethyl-2-methyl-N-propylhex-5-en-3-amine

4-ethyl-2-methyl-N-propylhex-5-en-3-amine (PubChem CID 170847793) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 4-ethyl-2-methyl-N-propylhex-5-en-3-amine.

Molecular Properties

Compound Name4-ethyl-2-methyl-N-propylhex-5-en-3-amine
PubChem CID170847793
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name4-ethyl-2-methyl-N-propylhex-5-en-3-amine
SMILESC=CC(CC)C(NCCC)C(C)C
InChIInChI=1S/C12H25N/c1-6-9-13-12(10(4)5)11(7-2)8-3/h7,10-13H,2,6,8-9H2,1,3-5H3
InChIKeyBMWTVWOFYWGDTQ-UHFFFAOYSA-N
XLogP3.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-ethyl-2-methyl-N-propylhex-5-en-3-amine?
The IUPAC name of 4-ethyl-2-methyl-N-propylhex-5-en-3-amine (CID 170847793) is 4-ethyl-2-methyl-N-propylhex-5-en-3-amine.
What is the SMILES notation for 4-ethyl-2-methyl-N-propylhex-5-en-3-amine?
The canonical SMILES for 4-ethyl-2-methyl-N-propylhex-5-en-3-amine is C=CC(CC)C(NCCC)C(C)C.
What is the InChIKey of 4-ethyl-2-methyl-N-propylhex-5-en-3-amine?
The InChIKey is BMWTVWOFYWGDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-6-9-13-12(10(4)5)11(7-2)8-3/h7,10-13H,2,6,8-9H2,1,3-5H3.
What are the key properties of 4-ethyl-2-methyl-N-propylhex-5-en-3-amine?
4-ethyl-2-methyl-N-propylhex-5-en-3-amine has a molecular weight of 183.34 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyl-N-propylhex-5-en-3-amine is sourced from PubChem (CID 170847793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).