N-[(3-aminocyclobutyl)methyl]-N,2,4,5-tetramethylaniline

C15H24N2 — CID 115213957

IUPACN-[(3-aminocyclobutyl)methyl]-N,2,4,5-tetramethylaniline
SMILESCc1cc(C)c(N(C)CC2CC(N)C2)cc1C
InChIInChI=1S/C15H24N2/c1-10-5-12(3)15(6-11(10)2)17(4)9-13-7-14(16)8-13/h5-6,13-14H,7-9,16H2,1-4H3
InChIKeyLYXGIWWBGPZWOX-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.79
Rot. Bonds3

About N-[(3-aminocyclobutyl)methyl]-N,2,4,5-tetramethylaniline

N-[(3-aminocyclobutyl)methyl]-N,2,4,5-tetramethylaniline (PubChem CID 115213957) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N-[(3-aminocyclobutyl)methyl]-N,2,4,5-tetramethylaniline.

Molecular Properties

Compound NameN-[(3-aminocyclobutyl)methyl]-N,2,4,5-tetramethylaniline
PubChem CID115213957
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN-[(3-aminocyclobutyl)methyl]-N,2,4,5-tetramethylaniline
SMILESCc1cc(C)c(N(C)CC2CC(N)C2)cc1C
InChIInChI=1S/C15H24N2/c1-10-5-12(3)15(6-11(10)2)17(4)9-13-7-14(16)8-13/h5-6,13-14H,7-9,16H2,1-4H3
InChIKeyLYXGIWWBGPZWOX-UHFFFAOYSA-N
XLogP2.79
TPSA29.26 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 ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-aminocyclohexyl)methyl]-N,2,4,5-tetramethylaniline
CID 115213393
N-[(3-aminocyclobutyl)methyl]-N,2,5-trimethylaniline
CID 115213895
N-[(3-aminocyclobutyl)methyl]-N,3,4-trimethylaniline
CID 115213894
N-[(3-aminocyclobutyl)methyl]-2-methoxy-N,5-dimethylaniline
CID 115213903
N-[(3-aminocyclobutyl)methyl]-2,5-dimethoxy-N-methylaniline
CID 115213906
N-[(3-aminocyclobutyl)methyl]-N-methylnaphthalen-1-amine
CID 115214014
N-[(3-aminocyclobutyl)methyl]-N-methylnaphthalen-2-amine
CID 115214015
N-[(3-aminocyclobutyl)methyl]-4-tert-butyl-N-methylaniline
CID 115213893
N-[(3-aminocyclobutyl)methyl]-6-methoxy-N,2-dimethylpyrimidin-4-amine
CID 66333911
N-(azetidin-3-ylmethyl)-N,7-dimethyl-2,3-dihydro-1,4-benzodioxin-6-amine
CID 115207411
3-[[(5-bromo-2-methylphenyl)methyl-methylamino]methyl]cyclobutan-1-amine
CID 115214218
3-N-(cyclohexylmethyl)-3-N,4-dimethylbenzene-1,3-diamine
CID 62589993

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclobutyl)methyl]-N,2,4,5-tetramethylaniline?
The IUPAC name of N-[(3-aminocyclobutyl)methyl]-N,2,4,5-tetramethylaniline (CID 115213957) is N-[(3-aminocyclobutyl)methyl]-N,2,4,5-tetramethylaniline.
What is the SMILES notation for N-[(3-aminocyclobutyl)methyl]-N,2,4,5-tetramethylaniline?
The canonical SMILES for N-[(3-aminocyclobutyl)methyl]-N,2,4,5-tetramethylaniline is Cc1cc(C)c(N(C)CC2CC(N)C2)cc1C.
What is the InChIKey of N-[(3-aminocyclobutyl)methyl]-N,2,4,5-tetramethylaniline?
The InChIKey is LYXGIWWBGPZWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-10-5-12(3)15(6-11(10)2)17(4)9-13-7-14(16)8-13/h5-6,13-14H,7-9,16H2,1-4H3.
What are the key properties of N-[(3-aminocyclobutyl)methyl]-N,2,4,5-tetramethylaniline?
N-[(3-aminocyclobutyl)methyl]-N,2,4,5-tetramethylaniline has a molecular weight of 232.37 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclobutyl)methyl]-N,2,4,5-tetramethylaniline is sourced from PubChem (CID 115213957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).