3-ethyl-N-methyl-6-methylidene-3-pyrrolidin-1-yloctan-4-amine

C16H32N2 — CID 79068002

IUPAC3-ethyl-N-methyl-6-methylidene-3-pyrrolidin-1-yloctan-4-amine
SMILESC=C(CC)CC(NC)C(CC)(CC)N1CCCC1
InChIInChI=1S/C16H32N2/c1-6-14(4)13-15(17-5)16(7-2,8-3)18-11-9-10-12-18/h15,17H,4,6-13H2,1-3,5H3
InChIKeyNMCRAUVGVNESMP-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.59
Rot. Bonds8

About 3-ethyl-N-methyl-6-methylidene-3-pyrrolidin-1-yloctan-4-amine

3-ethyl-N-methyl-6-methylidene-3-pyrrolidin-1-yloctan-4-amine (PubChem CID 79068002) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 3-ethyl-N-methyl-6-methylidene-3-pyrrolidin-1-yloctan-4-amine.

Molecular Properties

Compound Name3-ethyl-N-methyl-6-methylidene-3-pyrrolidin-1-yloctan-4-amine
PubChem CID79068002
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name3-ethyl-N-methyl-6-methylidene-3-pyrrolidin-1-yloctan-4-amine
SMILESC=C(CC)CC(NC)C(CC)(CC)N1CCCC1
InChIInChI=1S/C16H32N2/c1-6-14(4)13-15(17-5)16(7-2,8-3)18-11-9-10-12-18/h15,17H,4,6-13H2,1-3,5H3
InChIKeyNMCRAUVGVNESMP-UHFFFAOYSA-N
XLogP3.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.59
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 3-ethyl-N-methyl-6-methylidene-3-pyrrolidin-1-yloctan-4-amine?
The IUPAC name of 3-ethyl-N-methyl-6-methylidene-3-pyrrolidin-1-yloctan-4-amine (CID 79068002) is 3-ethyl-N-methyl-6-methylidene-3-pyrrolidin-1-yloctan-4-amine.
What is the SMILES notation for 3-ethyl-N-methyl-6-methylidene-3-pyrrolidin-1-yloctan-4-amine?
The canonical SMILES for 3-ethyl-N-methyl-6-methylidene-3-pyrrolidin-1-yloctan-4-amine is C=C(CC)CC(NC)C(CC)(CC)N1CCCC1.
What is the InChIKey of 3-ethyl-N-methyl-6-methylidene-3-pyrrolidin-1-yloctan-4-amine?
The InChIKey is NMCRAUVGVNESMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-6-14(4)13-15(17-5)16(7-2,8-3)18-11-9-10-12-18/h15,17H,4,6-13H2,1-3,5H3.
What are the key properties of 3-ethyl-N-methyl-6-methylidene-3-pyrrolidin-1-yloctan-4-amine?
3-ethyl-N-methyl-6-methylidene-3-pyrrolidin-1-yloctan-4-amine has a molecular weight of 252.45 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-methyl-6-methylidene-3-pyrrolidin-1-yloctan-4-amine is sourced from PubChem (CID 79068002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).