methyl 4-[[1-(dimethylamino)cyclobutyl]methylamino]butanoate

C12H24N2O2 — CID 105416398

IUPACmethyl 4-[[1-(dimethylamino)cyclobutyl]methylamino]butanoate
SMILESCOC(=O)CCCNCC1(N(C)C)CCC1
InChIInChI=1S/C12H24N2O2/c1-14(2)12(7-5-8-12)10-13-9-4-6-11(15)16-3/h13H,4-10H2,1-3H3
InChIKeyAAOZMXAVZPWETA-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.01
Rot. Bonds7

About methyl 4-[[1-(dimethylamino)cyclobutyl]methylamino]butanoate

methyl 4-[[1-(dimethylamino)cyclobutyl]methylamino]butanoate (PubChem CID 105416398) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is methyl 4-[[1-(dimethylamino)cyclobutyl]methylamino]butanoate.

Molecular Properties

Compound Namemethyl 4-[[1-(dimethylamino)cyclobutyl]methylamino]butanoate
PubChem CID105416398
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Namemethyl 4-[[1-(dimethylamino)cyclobutyl]methylamino]butanoate
SMILESCOC(=O)CCCNCC1(N(C)C)CCC1
InChIInChI=1S/C12H24N2O2/c1-14(2)12(7-5-8-12)10-13-9-4-6-11(15)16-3/h13H,4-10H2,1-3H3
InChIKeyAAOZMXAVZPWETA-UHFFFAOYSA-N
XLogP1.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[[1-(dimethylamino)cyclopentyl]methylamino]butanoate
CID 83121631
4-[[1-(dimethylamino)cyclobutyl]methylamino]-N,N-dimethylbutanamide
CID 105416919
5-[[1-(dimethylamino)cyclopentyl]methylamino]pentanoic acid
CID 103262326
3-[[1-(dimethylamino)cyclobutyl]methylamino]propanoic acid
CID 105416372
N-[[1-(dimethylamino)cyclobutyl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 105416972
methyl 4-(ethylamino)butanoate;dihydrochloride
CID 174870876
methyl 4-[(3-methoxy-3-oxopropyl)amino]butanoate
CID 60926530
N,N-dimethyl-1-[(3-methylsulfanylpropylamino)methyl]cyclohexan-1-amine
CID 28622139
3-[[1-(dimethylamino)cyclobutyl]methylamino]-N'-hydroxypropanimidamide
CID 105418384
tert-butyl 2-[[1-(dimethylamino)cyclobutyl]methylamino]acetate
CID 105416864
N-[[1-(dimethylamino)cyclobutyl]methyl]-2-methoxypropanamide
CID 105420622
1-[[2-(2-methoxyethoxy)ethylamino]methyl]-N,N-dimethylcyclohexan-1-amine
CID 112752546

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[1-(dimethylamino)cyclobutyl]methylamino]butanoate?
The IUPAC name of methyl 4-[[1-(dimethylamino)cyclobutyl]methylamino]butanoate (CID 105416398) is methyl 4-[[1-(dimethylamino)cyclobutyl]methylamino]butanoate.
What is the SMILES notation for methyl 4-[[1-(dimethylamino)cyclobutyl]methylamino]butanoate?
The canonical SMILES for methyl 4-[[1-(dimethylamino)cyclobutyl]methylamino]butanoate is COC(=O)CCCNCC1(N(C)C)CCC1.
What is the InChIKey of methyl 4-[[1-(dimethylamino)cyclobutyl]methylamino]butanoate?
The InChIKey is AAOZMXAVZPWETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-14(2)12(7-5-8-12)10-13-9-4-6-11(15)16-3/h13H,4-10H2,1-3H3.
What are the key properties of methyl 4-[[1-(dimethylamino)cyclobutyl]methylamino]butanoate?
methyl 4-[[1-(dimethylamino)cyclobutyl]methylamino]butanoate has a molecular weight of 228.34 g/mol, XLogP of 1.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[1-(dimethylamino)cyclobutyl]methylamino]butanoate is sourced from PubChem (CID 105416398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).