1-cyclobutyl-3-ethyl-N-methyl-3-pyrrolidin-1-ylpentan-2-amine

C16H32N2 — CID 79067520

IUPAC1-cyclobutyl-3-ethyl-N-methyl-3-pyrrolidin-1-ylpentan-2-amine
SMILESCCC(CC)(C(CC1CCC1)NC)N1CCCC1
InChIInChI=1S/C16H32N2/c1-4-16(5-2,18-11-6-7-12-18)15(17-3)13-14-9-8-10-14/h14-15,17H,4-13H2,1-3H3
InChIKeySGYFNLCMDBTEOK-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.42
Rot. Bonds7

About 1-cyclobutyl-3-ethyl-N-methyl-3-pyrrolidin-1-ylpentan-2-amine

1-cyclobutyl-3-ethyl-N-methyl-3-pyrrolidin-1-ylpentan-2-amine (PubChem CID 79067520) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 1-cyclobutyl-3-ethyl-N-methyl-3-pyrrolidin-1-ylpentan-2-amine.

Molecular Properties

Compound Name1-cyclobutyl-3-ethyl-N-methyl-3-pyrrolidin-1-ylpentan-2-amine
PubChem CID79067520
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name1-cyclobutyl-3-ethyl-N-methyl-3-pyrrolidin-1-ylpentan-2-amine
SMILESCCC(CC)(C(CC1CCC1)NC)N1CCCC1
InChIInChI=1S/C16H32N2/c1-4-16(5-2,18-11-6-7-12-18)15(17-3)13-14-9-8-10-14/h14-15,17H,4-13H2,1-3H3
InChIKeySGYFNLCMDBTEOK-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-ethyl-N-methyl-3-pyrrolidin-1-ylpentan-2-amine?
The IUPAC name of 1-cyclobutyl-3-ethyl-N-methyl-3-pyrrolidin-1-ylpentan-2-amine (CID 79067520) is 1-cyclobutyl-3-ethyl-N-methyl-3-pyrrolidin-1-ylpentan-2-amine.
What is the SMILES notation for 1-cyclobutyl-3-ethyl-N-methyl-3-pyrrolidin-1-ylpentan-2-amine?
The canonical SMILES for 1-cyclobutyl-3-ethyl-N-methyl-3-pyrrolidin-1-ylpentan-2-amine is CCC(CC)(C(CC1CCC1)NC)N1CCCC1.
What is the InChIKey of 1-cyclobutyl-3-ethyl-N-methyl-3-pyrrolidin-1-ylpentan-2-amine?
The InChIKey is SGYFNLCMDBTEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-4-16(5-2,18-11-6-7-12-18)15(17-3)13-14-9-8-10-14/h14-15,17H,4-13H2,1-3H3.
What are the key properties of 1-cyclobutyl-3-ethyl-N-methyl-3-pyrrolidin-1-ylpentan-2-amine?
1-cyclobutyl-3-ethyl-N-methyl-3-pyrrolidin-1-ylpentan-2-amine has a molecular weight of 252.45 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-ethyl-N-methyl-3-pyrrolidin-1-ylpentan-2-amine is sourced from PubChem (CID 79067520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).