N-[3-(2-methoxyethoxy)propyl]cyclohex-3-en-1-amine

C12H23NO2 — CID 103409551

IUPACN-[3-(2-methoxyethoxy)propyl]cyclohex-3-en-1-amine
SMILESCOCCOCCCNC1CC=CCC1
InChIInChI=1S/C12H23NO2/c1-14-10-11-15-9-5-8-13-12-6-3-2-4-7-12/h2-3,12-13H,4-11H2,1H3
InChIKeySEPYCJVQXVSJQT-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.74
Rot. Bonds8

About N-[3-(2-methoxyethoxy)propyl]cyclohex-3-en-1-amine

N-[3-(2-methoxyethoxy)propyl]cyclohex-3-en-1-amine (PubChem CID 103409551) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N-[3-(2-methoxyethoxy)propyl]cyclohex-3-en-1-amine.

Molecular Properties

Compound NameN-[3-(2-methoxyethoxy)propyl]cyclohex-3-en-1-amine
PubChem CID103409551
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC NameN-[3-(2-methoxyethoxy)propyl]cyclohex-3-en-1-amine
SMILESCOCCOCCCNC1CC=CCC1
InChIInChI=1S/C12H23NO2/c1-14-10-11-15-9-5-8-13-12-6-3-2-4-7-12/h2-3,12-13H,4-11H2,1H3
InChIKeySEPYCJVQXVSJQT-UHFFFAOYSA-N
XLogP1.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-methoxyethoxy)propyl]piperidin-4-amine
CID 61016689
N-[3-(2-methoxyethoxy)propyl]-1-methylpiperidin-4-amine
CID 28720517
N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]cyclopropanamine
CID 104560665
N-[3-(2-methoxyethoxy)propyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 28721496
N-[3-(2-methoxyethoxy)propyl]-3,5-dimethylcyclohexan-1-amine
CID 64724806
N-[3-(2-ethoxyethoxy)propyl]cyclopropanamine
CID 62445452
N-[3-(2-methoxyethoxy)propyl]-4-methylcycloheptan-1-amine
CID 65081277
N-[3-(2-methoxyethoxy)propyl]-2,3-dihydro-1H-inden-2-amine
CID 43512948
N-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]cyclopropanamine
CID 112587431
N-[4-(2-methoxyethoxy)butyl]-2,3-dihydro-1H-inden-2-amine
CID 115715426
N-(3-butoxypropyl)cyclopropanamine
CID 62450977
N-(2-phenylmethoxyethyl)cyclohex-3-en-1-amine
CID 130536829

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyethoxy)propyl]cyclohex-3-en-1-amine?
The IUPAC name of N-[3-(2-methoxyethoxy)propyl]cyclohex-3-en-1-amine (CID 103409551) is N-[3-(2-methoxyethoxy)propyl]cyclohex-3-en-1-amine.
What is the SMILES notation for N-[3-(2-methoxyethoxy)propyl]cyclohex-3-en-1-amine?
The canonical SMILES for N-[3-(2-methoxyethoxy)propyl]cyclohex-3-en-1-amine is COCCOCCCNC1CC=CCC1.
What is the InChIKey of N-[3-(2-methoxyethoxy)propyl]cyclohex-3-en-1-amine?
The InChIKey is SEPYCJVQXVSJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-14-10-11-15-9-5-8-13-12-6-3-2-4-7-12/h2-3,12-13H,4-11H2,1H3.
What are the key properties of N-[3-(2-methoxyethoxy)propyl]cyclohex-3-en-1-amine?
N-[3-(2-methoxyethoxy)propyl]cyclohex-3-en-1-amine has a molecular weight of 213.32 g/mol, XLogP of 1.74, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyethoxy)propyl]cyclohex-3-en-1-amine is sourced from PubChem (CID 103409551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).