3-ethyl-N-propyl-3-pyrrolidin-1-ylnon-8-en-4-amine

C18H36N2 — CID 79068007

IUPAC3-ethyl-N-propyl-3-pyrrolidin-1-ylnon-8-en-4-amine
SMILESC=CCCCC(NCCC)C(CC)(CC)N1CCCC1
InChIInChI=1S/C18H36N2/c1-5-9-10-13-17(19-14-6-2)18(7-3,8-4)20-15-11-12-16-20/h5,17,19H,1,6-16H2,2-4H3
InChIKeyOWRBVJSJSWMYME-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.37
Rot. Bonds11

About 3-ethyl-N-propyl-3-pyrrolidin-1-ylnon-8-en-4-amine

3-ethyl-N-propyl-3-pyrrolidin-1-ylnon-8-en-4-amine (PubChem CID 79068007) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 3-ethyl-N-propyl-3-pyrrolidin-1-ylnon-8-en-4-amine.

Molecular Properties

Compound Name3-ethyl-N-propyl-3-pyrrolidin-1-ylnon-8-en-4-amine
PubChem CID79068007
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name3-ethyl-N-propyl-3-pyrrolidin-1-ylnon-8-en-4-amine
SMILESC=CCCCC(NCCC)C(CC)(CC)N1CCCC1
InChIInChI=1S/C18H36N2/c1-5-9-10-13-17(19-14-6-2)18(7-3,8-4)20-15-11-12-16-20/h5,17,19H,1,6-16H2,2-4H3
InChIKeyOWRBVJSJSWMYME-UHFFFAOYSA-N
XLogP4.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-3-piperidin-1-yl-N-propylnon-8-en-4-amine
CID 79065087
N-ethyl-2-methyl-2-pyrrolidin-1-yloct-7-en-3-amine
CID 79056072
3-ethyl-3-N,3-N-dimethyl-4-N-propylnon-8-ene-3,4-diamine
CID 79061629
N,3-diethyl-8,8,8-trifluoro-3-pyrrolidin-1-yloctan-4-amine
CID 115517230
3-N,3-N,3-triethyl-4-N-propylnon-8-ene-3,4-diamine
CID 79067335
3-methyl-N-propyl-3-pyrrolidin-1-ylheptan-4-amine
CID 79069357
2-methoxy-2-methyl-N-propyldec-9-en-3-amine
CID 107009419
1-methoxy-5-methyl-5-piperidin-1-yl-N-propylheptan-4-amine
CID 114856241
4-methyl-4-piperidin-1-yl-N-propylhex-1-en-3-amine
CID 79064782
2-methyl-6-methylsulfonyl-N-propyl-2-pyrrolidin-1-ylhexan-3-amine
CID 79045743
3-ethyl-N,7-dimethyl-3-pyrrolidin-1-yloctan-4-amine
CID 79067196
N-ethyl-3-methyl-3-pyrrolidin-1-yloctan-4-amine
CID 79069200

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-propyl-3-pyrrolidin-1-ylnon-8-en-4-amine?
The IUPAC name of 3-ethyl-N-propyl-3-pyrrolidin-1-ylnon-8-en-4-amine (CID 79068007) is 3-ethyl-N-propyl-3-pyrrolidin-1-ylnon-8-en-4-amine.
What is the SMILES notation for 3-ethyl-N-propyl-3-pyrrolidin-1-ylnon-8-en-4-amine?
The canonical SMILES for 3-ethyl-N-propyl-3-pyrrolidin-1-ylnon-8-en-4-amine is C=CCCCC(NCCC)C(CC)(CC)N1CCCC1.
What is the InChIKey of 3-ethyl-N-propyl-3-pyrrolidin-1-ylnon-8-en-4-amine?
The InChIKey is OWRBVJSJSWMYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-5-9-10-13-17(19-14-6-2)18(7-3,8-4)20-15-11-12-16-20/h5,17,19H,1,6-16H2,2-4H3.
What are the key properties of 3-ethyl-N-propyl-3-pyrrolidin-1-ylnon-8-en-4-amine?
3-ethyl-N-propyl-3-pyrrolidin-1-ylnon-8-en-4-amine has a molecular weight of 280.50 g/mol, XLogP of 4.37, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-propyl-3-pyrrolidin-1-ylnon-8-en-4-amine is sourced from PubChem (CID 79068007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).