1-[3-(4-methoxybutyl)-3-bicyclo[3.1.0]hexanyl]-N-methylmethanamine

C13H25NO — CID 104649526

IUPAC1-[3-(4-methoxybutyl)-3-bicyclo[3.1.0]hexanyl]-N-methylmethanamine
SMILESCNCC1(CCCCOC)CC2CC2C1
InChIInChI=1S/C13H25NO/c1-14-10-13(5-3-4-6-15-2)8-11-7-12(11)9-13/h11-12,14H,3-10H2,1-2H3
InChIKeyABBSUTKTAQUYJU-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.44
Rot. Bonds7

About 1-[3-(4-methoxybutyl)-3-bicyclo[3.1.0]hexanyl]-N-methylmethanamine

1-[3-(4-methoxybutyl)-3-bicyclo[3.1.0]hexanyl]-N-methylmethanamine (PubChem CID 104649526) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-[3-(4-methoxybutyl)-3-bicyclo[3.1.0]hexanyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(4-methoxybutyl)-3-bicyclo[3.1.0]hexanyl]-N-methylmethanamine
PubChem CID104649526
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-[3-(4-methoxybutyl)-3-bicyclo[3.1.0]hexanyl]-N-methylmethanamine
SMILESCNCC1(CCCCOC)CC2CC2C1
InChIInChI=1S/C13H25NO/c1-14-10-13(5-3-4-6-15-2)8-11-7-12(11)9-13/h11-12,14H,3-10H2,1-2H3
InChIKeyABBSUTKTAQUYJU-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[[3-(4-methoxybutyl)-3-bicyclo[3.1.0]hexanyl]methyl]ethanamine
CID 104649530
1-[4-(3-methoxypropyl)oxan-4-yl]-N-methylmethanamine
CID 62907290
N-[[1-(4-methoxybutyl)cyclopentyl]methyl]propan-2-amine
CID 104649326
1-[1-(2-methoxyethyl)cyclobutyl]-N-methylmethanamine
CID 65194306
N-[[1-(4-methoxybutyl)cyclohexyl]methyl]propan-2-amine
CID 104649319
N-[[3-(2-tert-butylsulfonylethyl)-3-bicyclo[3.1.0]hexanyl]methyl]-2-methoxyethanamine
CID 106730283
[3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-bicyclo[3.1.0]hexanyl]methanamine
CID 104566815
[1-(4-methoxybutyl)cyclopropyl]methanamine
CID 104649416
1-(bromomethyl)-1-(3-methoxypropyl)-3-methylcyclobutane
CID 165442803
N-[[1-(3-methoxypropyl)cyclopropyl]methyl]propan-2-amine
CID 66024015
N-[[1-(3-methoxypropyl)cyclobutyl]methyl]cyclopropanamine
CID 65194954
N-[[1-(3-methoxypropyl)cyclopropyl]methyl]propan-1-amine
CID 66025997

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methoxybutyl)-3-bicyclo[3.1.0]hexanyl]-N-methylmethanamine?
The IUPAC name of 1-[3-(4-methoxybutyl)-3-bicyclo[3.1.0]hexanyl]-N-methylmethanamine (CID 104649526) is 1-[3-(4-methoxybutyl)-3-bicyclo[3.1.0]hexanyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(4-methoxybutyl)-3-bicyclo[3.1.0]hexanyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(4-methoxybutyl)-3-bicyclo[3.1.0]hexanyl]-N-methylmethanamine is CNCC1(CCCCOC)CC2CC2C1.
What is the InChIKey of 1-[3-(4-methoxybutyl)-3-bicyclo[3.1.0]hexanyl]-N-methylmethanamine?
The InChIKey is ABBSUTKTAQUYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-14-10-13(5-3-4-6-15-2)8-11-7-12(11)9-13/h11-12,14H,3-10H2,1-2H3.
What are the key properties of 1-[3-(4-methoxybutyl)-3-bicyclo[3.1.0]hexanyl]-N-methylmethanamine?
1-[3-(4-methoxybutyl)-3-bicyclo[3.1.0]hexanyl]-N-methylmethanamine has a molecular weight of 211.35 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methoxybutyl)-3-bicyclo[3.1.0]hexanyl]-N-methylmethanamine is sourced from PubChem (CID 104649526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).