N-[[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]cyclobutyl]methyl]ethanamine

C17H35NO3 — CID 104566642

IUPACN-[[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]cyclobutyl]methyl]ethanamine
SMILESCCCCOCCOCCOCCC1(CNCC)CCC1
InChIInChI=1S/C17H35NO3/c1-3-5-10-19-12-14-21-15-13-20-11-9-17(7-6-8-17)16-18-4-2/h18H,3-16H2,1-2H3
InChIKeyFMHCVADKLAQNNW-UHFFFAOYSA-N
MW301.47 g/mol
LogP3.01
Rot. Bonds15

About N-[[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]cyclobutyl]methyl]ethanamine

N-[[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]cyclobutyl]methyl]ethanamine (PubChem CID 104566642) has the molecular formula C17H35NO3 and a molecular weight of 301.47 g/mol. Its IUPAC name is N-[[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]cyclobutyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]cyclobutyl]methyl]ethanamine
PubChem CID104566642
Molecular FormulaC17H35NO3
Molecular Weight301.47 g/mol
Exact Mass301.26
IUPAC NameN-[[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]cyclobutyl]methyl]ethanamine
SMILESCCCCOCCOCCOCCC1(CNCC)CCC1
InChIInChI=1S/C17H35NO3/c1-3-5-10-19-12-14-21-15-13-20-11-9-17(7-6-8-17)16-18-4-2/h18H,3-16H2,1-2H3
InChIKeyFMHCVADKLAQNNW-UHFFFAOYSA-N
XLogP3.01
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.47
LogP ≤ 53.01
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

N-[[3-(2-butoxyethyl)oxan-3-yl]methyl]ethanamine
CID 55149572
N-[[1-(2-butoxyethyl)cyclopentyl]methyl]propan-1-amine
CID 55106499
N-[[1-(2-propoxyethyl)cyclopropyl]methyl]ethanamine
CID 106457012
N-[[1-(2-butoxyethyl)cyclobutyl]methyl]propan-2-amine
CID 65194383
N-[(1-octylcyclobutyl)methyl]ethanamine
CID 65194537
1-(bromomethyl)-1-(2-butoxyethyl)cyclopentane
CID 66048902
2-methoxy-N-[[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclobutyl]methyl]ethanamine
CID 104566649
2-methoxy-N-[[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopentyl]methyl]ethanamine
CID 104566535
N-[[1-(2-propoxyethyl)cyclobutyl]methyl]propan-2-amine
CID 106456993
N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexyl]methyl]ethanamine
CID 112591476
3-[2-(2-butoxyethoxy)ethoxy]-N-ethylpropan-1-amine
CID 89283788
N-[(1-ethylcyclobutyl)methyl]ethanamine
CID 65194759

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]cyclobutyl]methyl]ethanamine?
The IUPAC name of N-[[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]cyclobutyl]methyl]ethanamine (CID 104566642) is N-[[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]cyclobutyl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]cyclobutyl]methyl]ethanamine?
The canonical SMILES for N-[[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]cyclobutyl]methyl]ethanamine is CCCCOCCOCCOCCC1(CNCC)CCC1.
What is the InChIKey of N-[[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]cyclobutyl]methyl]ethanamine?
The InChIKey is FMHCVADKLAQNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO3/c1-3-5-10-19-12-14-21-15-13-20-11-9-17(7-6-8-17)16-18-4-2/h18H,3-16H2,1-2H3.
What are the key properties of N-[[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]cyclobutyl]methyl]ethanamine?
N-[[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]cyclobutyl]methyl]ethanamine has a molecular weight of 301.47 g/mol, XLogP of 3.01, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]cyclobutyl]methyl]ethanamine is sourced from PubChem (CID 104566642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).