1-[1-(aminomethyl)cyclobutyl]-1-(4-ethylphenyl)-N,N-dimethylmethanamine

C16H26N2 — CID 116912489

IUPAC1-[1-(aminomethyl)cyclobutyl]-1-(4-ethylphenyl)-N,N-dimethylmethanamine
SMILESCCc1ccc(C(N(C)C)C2(CN)CCC2)cc1
InChIInChI=1S/C16H26N2/c1-4-13-6-8-14(9-7-13)15(18(2)3)16(12-17)10-5-11-16/h6-9,15H,4-5,10-12,17H2,1-3H3
InChIKeyAKZFKCKWGXTNAV-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.98
Rot. Bonds5

About 1-[1-(aminomethyl)cyclobutyl]-1-(4-ethylphenyl)-N,N-dimethylmethanamine

1-[1-(aminomethyl)cyclobutyl]-1-(4-ethylphenyl)-N,N-dimethylmethanamine (PubChem CID 116912489) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cyclobutyl]-1-(4-ethylphenyl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[1-(aminomethyl)cyclobutyl]-1-(4-ethylphenyl)-N,N-dimethylmethanamine
PubChem CID116912489
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-[1-(aminomethyl)cyclobutyl]-1-(4-ethylphenyl)-N,N-dimethylmethanamine
SMILESCCc1ccc(C(N(C)C)C2(CN)CCC2)cc1
InChIInChI=1S/C16H26N2/c1-4-13-6-8-14(9-7-13)15(18(2)3)16(12-17)10-5-11-16/h6-9,15H,4-5,10-12,17H2,1-3H3
InChIKeyAKZFKCKWGXTNAV-UHFFFAOYSA-N
XLogP2.98
TPSA29.26 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 ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(aminomethyl)oxetan-3-yl]-1-(4-ethylphenyl)-N,N-dimethylmethanamine
CID 116913020
1-[1-(aminomethyl)cyclopropyl]-N,N-dimethyl-1-[4-(2-methylpropyl)phenyl]methanamine
CID 116912250
1-[3-(aminomethyl)oxetan-3-yl]-N,N-dimethyl-1-(4-propylphenyl)methanamine
CID 116913035
1-[1-(aminomethyl)cyclobutyl]-1-(3-methoxyphenyl)-N,N-dimethylmethanamine
CID 116912535
1-[1-(aminomethyl)cyclopropyl]-1-(3-fluorophenyl)-N,N-dimethylmethanamine
CID 116912305
[1-[(4-chlorophenyl)-(dimethylamino)methyl]cyclobutyl]methanol
CID 116912658
[1-(aminomethyl)cyclobutyl]-(4-propylphenyl)methanamine
CID 116943807
[1-(aminomethyl)-3-methylcyclopentyl]-(4-ethylphenyl)methanol
CID 79137757
1-[[1-(4-ethylphenyl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 83107346
1-(aminomethyl)-N-[(4-ethylphenyl)methyl]-N-methylcyclobutane-1-carboxamide
CID 115447419
1-[3-(aminomethyl)oxetan-3-yl]-N,N-dimethyl-1-(1H-pyrrol-3-yl)methanamine
CID 116913048
[1-(4-ethylphenyl)cyclopentyl]methanamine
CID 82491828

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cyclobutyl]-1-(4-ethylphenyl)-N,N-dimethylmethanamine?
The IUPAC name of 1-[1-(aminomethyl)cyclobutyl]-1-(4-ethylphenyl)-N,N-dimethylmethanamine (CID 116912489) is 1-[1-(aminomethyl)cyclobutyl]-1-(4-ethylphenyl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[1-(aminomethyl)cyclobutyl]-1-(4-ethylphenyl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-[1-(aminomethyl)cyclobutyl]-1-(4-ethylphenyl)-N,N-dimethylmethanamine is CCc1ccc(C(N(C)C)C2(CN)CCC2)cc1.
What is the InChIKey of 1-[1-(aminomethyl)cyclobutyl]-1-(4-ethylphenyl)-N,N-dimethylmethanamine?
The InChIKey is AKZFKCKWGXTNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-4-13-6-8-14(9-7-13)15(18(2)3)16(12-17)10-5-11-16/h6-9,15H,4-5,10-12,17H2,1-3H3.
What are the key properties of 1-[1-(aminomethyl)cyclobutyl]-1-(4-ethylphenyl)-N,N-dimethylmethanamine?
1-[1-(aminomethyl)cyclobutyl]-1-(4-ethylphenyl)-N,N-dimethylmethanamine has a molecular weight of 246.40 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)cyclobutyl]-1-(4-ethylphenyl)-N,N-dimethylmethanamine is sourced from PubChem (CID 116912489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).