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

C15H32N2 — CID 79069200

IUPACN-ethyl-3-methyl-3-pyrrolidin-1-yloctan-4-amine
SMILESCCCCC(NCC)C(C)(CC)N1CCCC1
InChIInChI=1S/C15H32N2/c1-5-8-11-14(16-7-3)15(4,6-2)17-12-9-10-13-17/h14,16H,5-13H2,1-4H3
InChIKeyJXMKGMAKFJKCDZ-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.42
Rot. Bonds8

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

N-ethyl-3-methyl-3-pyrrolidin-1-yloctan-4-amine (PubChem CID 79069200) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is N-ethyl-3-methyl-3-pyrrolidin-1-yloctan-4-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-3-pyrrolidin-1-yloctan-4-amine
PubChem CID79069200
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC NameN-ethyl-3-methyl-3-pyrrolidin-1-yloctan-4-amine
SMILESCCCCC(NCC)C(C)(CC)N1CCCC1
InChIInChI=1S/C15H32N2/c1-5-8-11-14(16-7-3)15(4,6-2)17-12-9-10-13-17/h14,16H,5-13H2,1-4H3
InChIKeyJXMKGMAKFJKCDZ-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-3-pyrrolidin-1-yloctan-4-amine?
The IUPAC name of N-ethyl-3-methyl-3-pyrrolidin-1-yloctan-4-amine (CID 79069200) is N-ethyl-3-methyl-3-pyrrolidin-1-yloctan-4-amine.
What is the SMILES notation for N-ethyl-3-methyl-3-pyrrolidin-1-yloctan-4-amine?
The canonical SMILES for N-ethyl-3-methyl-3-pyrrolidin-1-yloctan-4-amine is CCCCC(NCC)C(C)(CC)N1CCCC1.
What is the InChIKey of N-ethyl-3-methyl-3-pyrrolidin-1-yloctan-4-amine?
The InChIKey is JXMKGMAKFJKCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-5-8-11-14(16-7-3)15(4,6-2)17-12-9-10-13-17/h14,16H,5-13H2,1-4H3.
What are the key properties of N-ethyl-3-methyl-3-pyrrolidin-1-yloctan-4-amine?
N-ethyl-3-methyl-3-pyrrolidin-1-yloctan-4-amine has a molecular weight of 240.43 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-3-pyrrolidin-1-yloctan-4-amine is sourced from PubChem (CID 79069200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).