1-[2-[benzyl(methyl)amino]ethyl]cyclobutan-1-amine

C14H22N2 — CID 79842495

IUPAC1-[2-[benzyl(methyl)amino]ethyl]cyclobutan-1-amine
SMILESCN(CCC1(N)CCC1)Cc1ccccc1
InChIInChI=1S/C14H22N2/c1-16(11-10-14(15)8-5-9-14)12-13-6-3-2-4-7-13/h2-4,6-7H,5,8-12,15H2,1H3
InChIKeyICRSCLZVEHBJAI-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.39
Rot. Bonds5

About 1-[2-[benzyl(methyl)amino]ethyl]cyclobutan-1-amine

1-[2-[benzyl(methyl)amino]ethyl]cyclobutan-1-amine (PubChem CID 79842495) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-[2-[benzyl(methyl)amino]ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[2-[benzyl(methyl)amino]ethyl]cyclobutan-1-amine
PubChem CID79842495
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name1-[2-[benzyl(methyl)amino]ethyl]cyclobutan-1-amine
SMILESCN(CCC1(N)CCC1)Cc1ccccc1
InChIInChI=1S/C14H22N2/c1-16(11-10-14(15)8-5-9-14)12-13-6-3-2-4-7-13/h2-4,6-7H,5,8-12,15H2,1H3
InChIKeyICRSCLZVEHBJAI-UHFFFAOYSA-N
XLogP2.39
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[benzyl(methyl)amino]ethyl]cyclopentan-1-amine
CID 64678874
1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]cyclopentan-1-amine
CID 64679516
1-[2-[(3-bromophenyl)methyl-methylamino]ethyl]cyclopentan-1-amine
CID 64679525
1-[2-[methyl-[(3-methylphenyl)methyl]amino]ethyl]cyclohexan-1-amine
CID 64679512
1-[2-[(3-chlorophenyl)methyl-methylamino]ethyl]cyclohexan-1-amine
CID 64679518
1-[2-[methyl(pyridin-2-ylmethyl)amino]ethyl]cyclopentan-1-amine
CID 64677728
1-[2-[methyl(thiophen-2-ylmethyl)amino]ethyl]cyclohexan-1-amine
CID 64677713
N'-benzyl-N'-methylethane-1,2-diamine
CID 3014812
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-1-phenylmethanamine
CID 82171579
2-(1-aminocyclobutyl)-N-benzyl-N-ethylacetamide
CID 79851579
1-[2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethyl]cyclobutan-1-amine
CID 79844711
1-amino-N-benzyl-N-[2-(dimethylamino)ethyl]cyclobutane-1-carboxamide
CID 81172115

Frequently Asked Questions

What is the IUPAC name of 1-[2-[benzyl(methyl)amino]ethyl]cyclobutan-1-amine?
The IUPAC name of 1-[2-[benzyl(methyl)amino]ethyl]cyclobutan-1-amine (CID 79842495) is 1-[2-[benzyl(methyl)amino]ethyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[2-[benzyl(methyl)amino]ethyl]cyclobutan-1-amine?
The canonical SMILES for 1-[2-[benzyl(methyl)amino]ethyl]cyclobutan-1-amine is CN(CCC1(N)CCC1)Cc1ccccc1.
What is the InChIKey of 1-[2-[benzyl(methyl)amino]ethyl]cyclobutan-1-amine?
The InChIKey is ICRSCLZVEHBJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-16(11-10-14(15)8-5-9-14)12-13-6-3-2-4-7-13/h2-4,6-7H,5,8-12,15H2,1H3.
What are the key properties of 1-[2-[benzyl(methyl)amino]ethyl]cyclobutan-1-amine?
1-[2-[benzyl(methyl)amino]ethyl]cyclobutan-1-amine has a molecular weight of 218.34 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[benzyl(methyl)amino]ethyl]cyclobutan-1-amine is sourced from PubChem (CID 79842495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).