1-benzyl-N-[(1-ethylcyclobutyl)methyl]pyrrolidin-3-amine

C18H28N2 — CID 103748632

IUPAC1-benzyl-N-[(1-ethylcyclobutyl)methyl]pyrrolidin-3-amine
SMILESCCC1(CNC2CCN(Cc3ccccc3)C2)CCC1
InChIInChI=1S/C18H28N2/c1-2-18(10-6-11-18)15-19-17-9-12-20(14-17)13-16-7-4-3-5-8-16/h3-5,7-8,17,19H,2,6,9-15H2,1H3
InChIKeyRAHCPRVLDXXZOB-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.43
Rot. Bonds6

About 1-benzyl-N-[(1-ethylcyclobutyl)methyl]pyrrolidin-3-amine

1-benzyl-N-[(1-ethylcyclobutyl)methyl]pyrrolidin-3-amine (PubChem CID 103748632) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 1-benzyl-N-[(1-ethylcyclobutyl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-benzyl-N-[(1-ethylcyclobutyl)methyl]pyrrolidin-3-amine
PubChem CID103748632
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name1-benzyl-N-[(1-ethylcyclobutyl)methyl]pyrrolidin-3-amine
SMILESCCC1(CNC2CCN(Cc3ccccc3)C2)CCC1
InChIInChI=1S/C18H28N2/c1-2-18(10-6-11-18)15-19-17-9-12-20(14-17)13-16-7-4-3-5-8-16/h3-5,7-8,17,19H,2,6,9-15H2,1H3
InChIKeyRAHCPRVLDXXZOB-UHFFFAOYSA-N
XLogP3.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(1-ethylcyclobutyl)methyl]pyrrolidin-3-amine?
The IUPAC name of 1-benzyl-N-[(1-ethylcyclobutyl)methyl]pyrrolidin-3-amine (CID 103748632) is 1-benzyl-N-[(1-ethylcyclobutyl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-benzyl-N-[(1-ethylcyclobutyl)methyl]pyrrolidin-3-amine?
The canonical SMILES for 1-benzyl-N-[(1-ethylcyclobutyl)methyl]pyrrolidin-3-amine is CCC1(CNC2CCN(Cc3ccccc3)C2)CCC1.
What is the InChIKey of 1-benzyl-N-[(1-ethylcyclobutyl)methyl]pyrrolidin-3-amine?
The InChIKey is RAHCPRVLDXXZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-2-18(10-6-11-18)15-19-17-9-12-20(14-17)13-16-7-4-3-5-8-16/h3-5,7-8,17,19H,2,6,9-15H2,1H3.
What are the key properties of 1-benzyl-N-[(1-ethylcyclobutyl)methyl]pyrrolidin-3-amine?
1-benzyl-N-[(1-ethylcyclobutyl)methyl]pyrrolidin-3-amine has a molecular weight of 272.44 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(1-ethylcyclobutyl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 103748632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).