N-[[1-(aminomethyl)cyclobutyl]methyl]-5-tert-butyl-2-methylaniline

C17H28N2 — CID 115245575

IUPACN-[[1-(aminomethyl)cyclobutyl]methyl]-5-tert-butyl-2-methylaniline
SMILESCc1ccc(C(C)(C)C)cc1NCC1(CN)CCC1
InChIInChI=1S/C17H28N2/c1-13-6-7-14(16(2,3)4)10-15(13)19-12-17(11-18)8-5-9-17/h6-7,10,19H,5,8-9,11-12,18H2,1-4H3
InChIKeySZOZNMBYRNZWBE-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.83
Rot. Bonds4

About N-[[1-(aminomethyl)cyclobutyl]methyl]-5-tert-butyl-2-methylaniline

N-[[1-(aminomethyl)cyclobutyl]methyl]-5-tert-butyl-2-methylaniline (PubChem CID 115245575) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclobutyl]methyl]-5-tert-butyl-2-methylaniline.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclobutyl]methyl]-5-tert-butyl-2-methylaniline
PubChem CID115245575
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-[[1-(aminomethyl)cyclobutyl]methyl]-5-tert-butyl-2-methylaniline
SMILESCc1ccc(C(C)(C)C)cc1NCC1(CN)CCC1
InChIInChI=1S/C17H28N2/c1-13-6-7-14(16(2,3)4)10-15(13)19-12-17(11-18)8-5-9-17/h6-7,10,19H,5,8-9,11-12,18H2,1-4H3
InChIKeySZOZNMBYRNZWBE-UHFFFAOYSA-N
XLogP3.83
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(aminomethyl)cyclobutyl]methyl]-2,3,4-trimethylaniline
CID 115245654
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-methoxy-4,5-dimethylaniline
CID 115245582
N-[[1-(aminomethyl)cyclopentyl]methyl]-5-tert-butylpyridin-2-amine
CID 107875696
1-(aminomethyl)-N-(5-tert-butyl-2-methylphenyl)cyclopropane-1-carboxamide
CID 115182511
5-bromo-2-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline
CID 115246072
N-[[1-(aminomethyl)cyclobutyl]methyl]-2,4-dimethoxy-3-methylaniline
CID 115245612
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(3,4-dimethylphenyl)ethanamine
CID 115245892
2-(5-tert-butyl-2-methylanilino)ethanol
CID 82492429
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-fluoro-4-(trifluoromethyl)aniline
CID 107304222
N-[[1-(aminomethyl)cyclopentyl]methyl]-2-methylquinolin-4-amine
CID 115366049
N-[[1-(aminomethyl)cyclopentyl]methyl]-3,4-dimethylbenzenesulfonamide
CID 115365882
5-tert-butyl-2-methyl-N-(piperidin-4-ylmethyl)aniline
CID 115209791

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclobutyl]methyl]-5-tert-butyl-2-methylaniline?
The IUPAC name of N-[[1-(aminomethyl)cyclobutyl]methyl]-5-tert-butyl-2-methylaniline (CID 115245575) is N-[[1-(aminomethyl)cyclobutyl]methyl]-5-tert-butyl-2-methylaniline.
What is the SMILES notation for N-[[1-(aminomethyl)cyclobutyl]methyl]-5-tert-butyl-2-methylaniline?
The canonical SMILES for N-[[1-(aminomethyl)cyclobutyl]methyl]-5-tert-butyl-2-methylaniline is Cc1ccc(C(C)(C)C)cc1NCC1(CN)CCC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclobutyl]methyl]-5-tert-butyl-2-methylaniline?
The InChIKey is SZOZNMBYRNZWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-13-6-7-14(16(2,3)4)10-15(13)19-12-17(11-18)8-5-9-17/h6-7,10,19H,5,8-9,11-12,18H2,1-4H3.
What are the key properties of N-[[1-(aminomethyl)cyclobutyl]methyl]-5-tert-butyl-2-methylaniline?
N-[[1-(aminomethyl)cyclobutyl]methyl]-5-tert-butyl-2-methylaniline has a molecular weight of 260.43 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclobutyl]methyl]-5-tert-butyl-2-methylaniline is sourced from PubChem (CID 115245575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).