N,N-dimethyl-4-propan-2-yl-2-pyrrolidin-3-ylaniline

C15H24N2 — CID 117116687

IUPACN,N-dimethyl-4-propan-2-yl-2-pyrrolidin-3-ylaniline
SMILESCC(C)c1ccc(N(C)C)c(C2CCNC2)c1
InChIInChI=1S/C15H24N2/c1-11(2)12-5-6-15(17(3)4)14(9-12)13-7-8-16-10-13/h5-6,9,11,13,16H,7-8,10H2,1-4H3
InChIKeySXHGKPKCROPYFJ-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.95
Rot. Bonds3

About N,N-dimethyl-4-propan-2-yl-2-pyrrolidin-3-ylaniline

N,N-dimethyl-4-propan-2-yl-2-pyrrolidin-3-ylaniline (PubChem CID 117116687) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N,N-dimethyl-4-propan-2-yl-2-pyrrolidin-3-ylaniline.

Molecular Properties

Compound NameN,N-dimethyl-4-propan-2-yl-2-pyrrolidin-3-ylaniline
PubChem CID117116687
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN,N-dimethyl-4-propan-2-yl-2-pyrrolidin-3-ylaniline
SMILESCC(C)c1ccc(N(C)C)c(C2CCNC2)c1
InChIInChI=1S/C15H24N2/c1-11(2)12-5-6-15(17(3)4)14(9-12)13-7-8-16-10-13/h5-6,9,11,13,16H,7-8,10H2,1-4H3
InChIKeySXHGKPKCROPYFJ-UHFFFAOYSA-N
XLogP2.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-fluoro-5-propan-2-ylphenyl)pyrrolidine
CID 117296630
3-(3-propan-2-ylphenyl)pyrrolidine
CID 58484109
N-methyl-N-(2-methyl-5-propan-2-ylphenyl)pyrrolidin-3-amine
CID 115118743
3-(3-bromo-2-methoxy-5-propan-2-ylphenyl)pyrrolidine
CID 117480582
N,N,2-trimethyl-5-pyrrolidin-3-ylaniline
CID 117116674
2-methoxy-N-methyl-4-propan-2-yl-N-(pyrrolidin-3-ylmethyl)aniline
CID 115208694
3-(4-propan-2-ylphenyl)piperidine
CID 58015975
3-(2-methoxy-5-propan-2-ylphenyl)azetidine
CID 82283096
2-fluoro-N,N-dimethyl-5-propan-2-ylaniline
CID 134375648
3-[7-(1-fluoroethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]pyrrolidine
CID 117381283
3-(5-bromo-2-methylsulfanylphenyl)pyrrolidine
CID 84713327
4-methyl-2-[(3S)-pyrrolidin-3-yl]aniline
CID 130706409

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-propan-2-yl-2-pyrrolidin-3-ylaniline?
The IUPAC name of N,N-dimethyl-4-propan-2-yl-2-pyrrolidin-3-ylaniline (CID 117116687) is N,N-dimethyl-4-propan-2-yl-2-pyrrolidin-3-ylaniline.
What is the SMILES notation for N,N-dimethyl-4-propan-2-yl-2-pyrrolidin-3-ylaniline?
The canonical SMILES for N,N-dimethyl-4-propan-2-yl-2-pyrrolidin-3-ylaniline is CC(C)c1ccc(N(C)C)c(C2CCNC2)c1.
What is the InChIKey of N,N-dimethyl-4-propan-2-yl-2-pyrrolidin-3-ylaniline?
The InChIKey is SXHGKPKCROPYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-11(2)12-5-6-15(17(3)4)14(9-12)13-7-8-16-10-13/h5-6,9,11,13,16H,7-8,10H2,1-4H3.
What are the key properties of N,N-dimethyl-4-propan-2-yl-2-pyrrolidin-3-ylaniline?
N,N-dimethyl-4-propan-2-yl-2-pyrrolidin-3-ylaniline has a molecular weight of 232.37 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-propan-2-yl-2-pyrrolidin-3-ylaniline is sourced from PubChem (CID 117116687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).