N-[[2-[2-(3-methoxypropoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine

C17H33NO2 — CID 103183453

IUPACN-[[2-[2-(3-methoxypropoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine
SMILESCCCNCC1(CCOCCCOC)CC2CCC1C2
InChIInChI=1S/C17H33NO2/c1-3-8-18-14-17(7-11-20-10-4-9-19-2)13-15-5-6-16(17)12-15/h15-16,18H,3-14H2,1-2H3
InChIKeyFXLQJEOYOMHMDP-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.24
Rot. Bonds11

About N-[[2-[2-(3-methoxypropoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine

N-[[2-[2-(3-methoxypropoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine (PubChem CID 103183453) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is N-[[2-[2-(3-methoxypropoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-[2-(3-methoxypropoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine
PubChem CID103183453
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC NameN-[[2-[2-(3-methoxypropoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine
SMILESCCCNCC1(CCOCCCOC)CC2CCC1C2
InChIInChI=1S/C17H33NO2/c1-3-8-18-14-17(7-11-20-10-4-9-19-2)13-15-5-6-16(17)12-15/h15-16,18H,3-14H2,1-2H3
InChIKeyFXLQJEOYOMHMDP-UHFFFAOYSA-N
XLogP3.24
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[2-[2-(3-methoxypropoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine with MolForge

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Related Compounds

N-[[2-(2-propan-2-yloxyethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine
CID 62723558
N-[(2-nonyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-1-amine
CID 63520946
N-[[2-(3-ethylsulfonylpropyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine
CID 65096862
2-methoxy-N-[[2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine
CID 115943396
N-[[2-(3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine
CID 63521992
N-[[2-(4-methoxybutyl)-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-1-amine
CID 104649309
[2-(2-butoxyethyl)-2-bicyclo[2.2.1]heptanyl]methanol
CID 66025394
N-[[2-(2-methoxyethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
CID 62723961
N-[[2-(2-tert-butylsulfonylethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine
CID 106729828
2-(bromomethyl)-2-(2-propoxyethyl)bicyclo[2.2.1]heptane
CID 106459586
[2-(2-propoxyethyl)-2-bicyclo[2.2.1]heptanyl]methanamine
CID 106456768
N-methyl-1-(2-propyl-2-bicyclo[2.2.1]heptanyl)methanamine
CID 62725163

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(3-methoxypropoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-[2-(3-methoxypropoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine (CID 103183453) is N-[[2-[2-(3-methoxypropoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-[2-(3-methoxypropoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-[2-(3-methoxypropoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine is CCCNCC1(CCOCCCOC)CC2CCC1C2.
What is the InChIKey of N-[[2-[2-(3-methoxypropoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine?
The InChIKey is FXLQJEOYOMHMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-3-8-18-14-17(7-11-20-10-4-9-19-2)13-15-5-6-16(17)12-15/h15-16,18H,3-14H2,1-2H3.
What are the key properties of N-[[2-[2-(3-methoxypropoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine?
N-[[2-[2-(3-methoxypropoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine has a molecular weight of 283.46 g/mol, XLogP of 3.24, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(3-methoxypropoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine is sourced from PubChem (CID 103183453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).