N-ethyl-2-methyl-2-pyrrolidin-1-yloct-7-en-3-amine

C15H30N2 — CID 79056072

IUPACN-ethyl-2-methyl-2-pyrrolidin-1-yloct-7-en-3-amine
SMILESC=CCCCC(NCC)C(C)(C)N1CCCC1
InChIInChI=1S/C15H30N2/c1-5-7-8-11-14(16-6-2)15(3,4)17-12-9-10-13-17/h5,14,16H,1,6-13H2,2-4H3
InChIKeyHKVOPJFHUQCNBB-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.20
Rot. Bonds8

About N-ethyl-2-methyl-2-pyrrolidin-1-yloct-7-en-3-amine

N-ethyl-2-methyl-2-pyrrolidin-1-yloct-7-en-3-amine (PubChem CID 79056072) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is N-ethyl-2-methyl-2-pyrrolidin-1-yloct-7-en-3-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-2-pyrrolidin-1-yloct-7-en-3-amine
PubChem CID79056072
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC NameN-ethyl-2-methyl-2-pyrrolidin-1-yloct-7-en-3-amine
SMILESC=CCCCC(NCC)C(C)(C)N1CCCC1
InChIInChI=1S/C15H30N2/c1-5-7-8-11-14(16-6-2)15(3,4)17-12-9-10-13-17/h5,14,16H,1,6-13H2,2-4H3
InChIKeyHKVOPJFHUQCNBB-UHFFFAOYSA-N
XLogP3.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.20
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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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-2-pyrrolidin-1-yloct-7-en-3-amine?
The IUPAC name of N-ethyl-2-methyl-2-pyrrolidin-1-yloct-7-en-3-amine (CID 79056072) is N-ethyl-2-methyl-2-pyrrolidin-1-yloct-7-en-3-amine.
What is the SMILES notation for N-ethyl-2-methyl-2-pyrrolidin-1-yloct-7-en-3-amine?
The canonical SMILES for N-ethyl-2-methyl-2-pyrrolidin-1-yloct-7-en-3-amine is C=CCCCC(NCC)C(C)(C)N1CCCC1.
What is the InChIKey of N-ethyl-2-methyl-2-pyrrolidin-1-yloct-7-en-3-amine?
The InChIKey is HKVOPJFHUQCNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-5-7-8-11-14(16-6-2)15(3,4)17-12-9-10-13-17/h5,14,16H,1,6-13H2,2-4H3.
What are the key properties of N-ethyl-2-methyl-2-pyrrolidin-1-yloct-7-en-3-amine?
N-ethyl-2-methyl-2-pyrrolidin-1-yloct-7-en-3-amine has a molecular weight of 238.42 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-2-pyrrolidin-1-yloct-7-en-3-amine is sourced from PubChem (CID 79056072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).