N,3,4-trimethyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline

C16H26N2 — CID 115246100

IUPACN,3,4-trimethyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline
SMILESCNCC1(CN(C)c2ccc(C)c(C)c2)CCC1
InChIInChI=1S/C16H26N2/c1-13-6-7-15(10-14(13)2)18(4)12-16(11-17-3)8-5-9-16/h6-7,10,17H,5,8-9,11-12H2,1-4H3
InChIKeyBILIXTKTMSYCKH-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.13
Rot. Bonds5

About N,3,4-trimethyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline

N,3,4-trimethyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline (PubChem CID 115246100) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N,3,4-trimethyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline.

Molecular Properties

Compound NameN,3,4-trimethyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline
PubChem CID115246100
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN,3,4-trimethyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline
SMILESCNCC1(CN(C)c2ccc(C)c(C)c2)CCC1
InChIInChI=1S/C16H26N2/c1-13-6-7-15(10-14(13)2)18(4)12-16(11-17-3)8-5-9-16/h6-7,10,17H,5,8-9,11-12H2,1-4H3
InChIKeyBILIXTKTMSYCKH-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]aniline
CID 55056003
N-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]-2,3-dihydro-1H-inden-5-amine
CID 115244605
N-[(1-aminocyclopropyl)methyl]-N,3,4-trimethylaniline
CID 115256470
2-methoxy-N,5-dimethyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline
CID 115246108
2,5-difluoro-N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline
CID 115246121
4-fluoro-N-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]aniline
CID 63493700
[1-[(4-ethoxy-N,3-dimethylanilino)methyl]cyclobutyl]methanol
CID 115246834
N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]-1H-pyrrol-2-amine
CID 115246125
2-methoxy-N,4,5-trimethyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]aniline
CID 115244616
N-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N-methylaniline
CID 55051657
6-[methyl-[[1-(methylaminomethyl)cyclopropyl]methyl]amino]-3H-1,3-benzoxazol-2-one
CID 115244654
N-[[1-(aminomethyl)cyclopentyl]methyl]-N,4-dimethylaniline
CID 62259755

Frequently Asked Questions

What is the IUPAC name of N,3,4-trimethyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline?
The IUPAC name of N,3,4-trimethyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline (CID 115246100) is N,3,4-trimethyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline.
What is the SMILES notation for N,3,4-trimethyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline?
The canonical SMILES for N,3,4-trimethyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline is CNCC1(CN(C)c2ccc(C)c(C)c2)CCC1.
What is the InChIKey of N,3,4-trimethyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline?
The InChIKey is BILIXTKTMSYCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-13-6-7-15(10-14(13)2)18(4)12-16(11-17-3)8-5-9-16/h6-7,10,17H,5,8-9,11-12H2,1-4H3.
What are the key properties of N,3,4-trimethyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline?
N,3,4-trimethyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline has a molecular weight of 246.40 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,4-trimethyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline is sourced from PubChem (CID 115246100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).