N-cyclobutyl-N-(pyrrolidin-1-ylmethyl)aniline

C15H22N2 — CID 68561100

IUPACN-cyclobutyl-N-(pyrrolidin-1-ylmethyl)aniline
SMILESc1ccc(N(CN2CCCC2)C2CCC2)cc1
InChIInChI=1S/C15H22N2/c1-2-7-14(8-3-1)17(15-9-6-10-15)13-16-11-4-5-12-16/h1-3,7-8,15H,4-6,9-13H2
InChIKeyNJWPUKFBHFMMOR-UHFFFAOYSA-N
MW230.36 g/mol
LogP3.10
Rot. Bonds4

About N-cyclobutyl-N-(pyrrolidin-1-ylmethyl)aniline

N-cyclobutyl-N-(pyrrolidin-1-ylmethyl)aniline (PubChem CID 68561100) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is N-cyclobutyl-N-(pyrrolidin-1-ylmethyl)aniline.

Molecular Properties

Compound NameN-cyclobutyl-N-(pyrrolidin-1-ylmethyl)aniline
PubChem CID68561100
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC NameN-cyclobutyl-N-(pyrrolidin-1-ylmethyl)aniline
SMILESc1ccc(N(CN2CCCC2)C2CCC2)cc1
InChIInChI=1S/C15H22N2/c1-2-7-14(8-3-1)17(15-9-6-10-15)13-16-11-4-5-12-16/h1-3,7-8,15H,4-6,9-13H2
InChIKeyNJWPUKFBHFMMOR-UHFFFAOYSA-N
XLogP3.10
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N-(pyrrolidin-1-ylmethyl)aniline?
The IUPAC name of N-cyclobutyl-N-(pyrrolidin-1-ylmethyl)aniline (CID 68561100) is N-cyclobutyl-N-(pyrrolidin-1-ylmethyl)aniline.
What is the SMILES notation for N-cyclobutyl-N-(pyrrolidin-1-ylmethyl)aniline?
The canonical SMILES for N-cyclobutyl-N-(pyrrolidin-1-ylmethyl)aniline is c1ccc(N(CN2CCCC2)C2CCC2)cc1.
What is the InChIKey of N-cyclobutyl-N-(pyrrolidin-1-ylmethyl)aniline?
The InChIKey is NJWPUKFBHFMMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-2-7-14(8-3-1)17(15-9-6-10-15)13-16-11-4-5-12-16/h1-3,7-8,15H,4-6,9-13H2.
What are the key properties of N-cyclobutyl-N-(pyrrolidin-1-ylmethyl)aniline?
N-cyclobutyl-N-(pyrrolidin-1-ylmethyl)aniline has a molecular weight of 230.36 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N-(pyrrolidin-1-ylmethyl)aniline is sourced from PubChem (CID 68561100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).