2-[(dimethylamino)methyl]-N-(3-methylcyclobutyl)aniline

C14H22N2 — CID 104859978

IUPAC2-[(dimethylamino)methyl]-N-(3-methylcyclobutyl)aniline
SMILESCC1CC(Nc2ccccc2CN(C)C)C1
InChIInChI=1S/C14H22N2/c1-11-8-13(9-11)15-14-7-5-4-6-12(14)10-16(2)3/h4-7,11,13,15H,8-10H2,1-3H3
InChIKeyMYAIYRORKRJXNR-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.96
Rot. Bonds4

About 2-[(dimethylamino)methyl]-N-(3-methylcyclobutyl)aniline

2-[(dimethylamino)methyl]-N-(3-methylcyclobutyl)aniline (PubChem CID 104859978) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-N-(3-methylcyclobutyl)aniline.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-N-(3-methylcyclobutyl)aniline
PubChem CID104859978
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name2-[(dimethylamino)methyl]-N-(3-methylcyclobutyl)aniline
SMILESCC1CC(Nc2ccccc2CN(C)C)C1
InChIInChI=1S/C14H22N2/c1-11-8-13(9-11)15-14-7-5-4-6-12(14)10-16(2)3/h4-7,11,13,15H,8-10H2,1-3H3
InChIKeyMYAIYRORKRJXNR-UHFFFAOYSA-N
XLogP2.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(diethylaminomethyl)-N-(3,5-dimethylcyclohexyl)aniline
CID 64751764
2-[(dimethylamino)methyl]-N-(3-propan-2-ylcyclohexyl)aniline
CID 107448283
2-[(dimethylamino)methyl]-N-(3-methoxycyclohexyl)aniline
CID 106871933
N-methyl-N-[[2-[(3-methylcyclohexyl)amino]phenyl]methyl]acetamide
CID 43692073
N-[2-[(dimethylamino)methyl]phenyl]-4,4-dimethylcycloheptan-1-amine
CID 65083143
N-[2-[(dimethylamino)methyl]phenyl]azepan-4-amine
CID 103981509
N-[2-[(dimethylamino)methyl]phenyl]-1-methylazepan-4-amine
CID 65070089
2-chloro-N-(3-methylcyclobutyl)aniline
CID 104860161
3-[2-[(dimethylamino)methyl]anilino]-2,2-dimethylcyclobutan-1-ol
CID 112633731
4-[(dimethylamino)methyl]-N-(3,5-dimethylcyclohexyl)aniline
CID 64753180
2-(ethoxymethyl)-N-(3-methylcyclopentyl)aniline
CID 64500672
N-[2-[(dimethylamino)methyl]phenyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 43750113

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-N-(3-methylcyclobutyl)aniline?
The IUPAC name of 2-[(dimethylamino)methyl]-N-(3-methylcyclobutyl)aniline (CID 104859978) is 2-[(dimethylamino)methyl]-N-(3-methylcyclobutyl)aniline.
What is the SMILES notation for 2-[(dimethylamino)methyl]-N-(3-methylcyclobutyl)aniline?
The canonical SMILES for 2-[(dimethylamino)methyl]-N-(3-methylcyclobutyl)aniline is CC1CC(Nc2ccccc2CN(C)C)C1.
What is the InChIKey of 2-[(dimethylamino)methyl]-N-(3-methylcyclobutyl)aniline?
The InChIKey is MYAIYRORKRJXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-11-8-13(9-11)15-14-7-5-4-6-12(14)10-16(2)3/h4-7,11,13,15H,8-10H2,1-3H3.
What are the key properties of 2-[(dimethylamino)methyl]-N-(3-methylcyclobutyl)aniline?
2-[(dimethylamino)methyl]-N-(3-methylcyclobutyl)aniline has a molecular weight of 218.34 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-N-(3-methylcyclobutyl)aniline is sourced from PubChem (CID 104859978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).