N-[1-cyclopropyl-2-[2-(2-methoxyethoxy)ethoxy]ethyl]propan-1-amine

C13H27NO3 — CID 104560815

IUPACN-[1-cyclopropyl-2-[2-(2-methoxyethoxy)ethoxy]ethyl]propan-1-amine
SMILESCCCNC(COCCOCCOC)C1CC1
InChIInChI=1S/C13H27NO3/c1-3-6-14-13(12-4-5-12)11-17-10-9-16-8-7-15-2/h12-14H,3-11H2,1-2H3
InChIKeyCDQOWBXWOZESAM-UHFFFAOYSA-N
MW245.36 g/mol
LogP1.44
Rot. Bonds12

About N-[1-cyclopropyl-2-[2-(2-methoxyethoxy)ethoxy]ethyl]propan-1-amine

N-[1-cyclopropyl-2-[2-(2-methoxyethoxy)ethoxy]ethyl]propan-1-amine (PubChem CID 104560815) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is N-[1-cyclopropyl-2-[2-(2-methoxyethoxy)ethoxy]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-cyclopropyl-2-[2-(2-methoxyethoxy)ethoxy]ethyl]propan-1-amine
PubChem CID104560815
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC NameN-[1-cyclopropyl-2-[2-(2-methoxyethoxy)ethoxy]ethyl]propan-1-amine
SMILESCCCNC(COCCOCCOC)C1CC1
InChIInChI=1S/C13H27NO3/c1-3-6-14-13(12-4-5-12)11-17-10-9-16-8-7-15-2/h12-14H,3-11H2,1-2H3
InChIKeyCDQOWBXWOZESAM-UHFFFAOYSA-N
XLogP1.44
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 51.44
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-[1-cyclopentyl-2-(2-propoxyethoxy)ethyl]propan-1-amine
CID 104749456
N-(1-cyclobutyl-2-propoxyethyl)propan-1-amine
CID 79574757
N-[1-cyclopropyl-2-(3,3-dimethylbutoxy)ethyl]propan-1-amine
CID 66233363
1-cyclohexyl-N-ethyl-2-(2-methoxyethoxy)ethanamine
CID 104748657
N-[1-cyclopropyl-2-(cyclopropylmethoxy)ethyl]propan-1-amine
CID 63908760
N-[2-propoxy-1-(thiolan-3-yl)ethyl]propan-1-amine
CID 105165367
N-[1-cyclohexyl-2-(2-cyclopropylethoxy)ethyl]propan-1-amine
CID 114157400
N-[2-(cyclohexylmethoxy)-1-cyclopropylethyl]propan-1-amine
CID 63906067
1-cyclopropyl-N-methyl-2-(2-propoxyethoxy)ethanamine
CID 63907333
1-cyclopentyl-4-methoxy-3-methyl-N-propylbutan-1-amine
CID 105080973
N-[1-(4-methylcyclohexyl)-2-propan-2-yloxyethyl]propan-1-amine
CID 79575417
1-cyclopropyl-N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-N-propylethane-1,2-diamine
CID 63912366

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclopropyl-2-[2-(2-methoxyethoxy)ethoxy]ethyl]propan-1-amine?
The IUPAC name of N-[1-cyclopropyl-2-[2-(2-methoxyethoxy)ethoxy]ethyl]propan-1-amine (CID 104560815) is N-[1-cyclopropyl-2-[2-(2-methoxyethoxy)ethoxy]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-cyclopropyl-2-[2-(2-methoxyethoxy)ethoxy]ethyl]propan-1-amine?
The canonical SMILES for N-[1-cyclopropyl-2-[2-(2-methoxyethoxy)ethoxy]ethyl]propan-1-amine is CCCNC(COCCOCCOC)C1CC1.
What is the InChIKey of N-[1-cyclopropyl-2-[2-(2-methoxyethoxy)ethoxy]ethyl]propan-1-amine?
The InChIKey is CDQOWBXWOZESAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3/c1-3-6-14-13(12-4-5-12)11-17-10-9-16-8-7-15-2/h12-14H,3-11H2,1-2H3.
What are the key properties of N-[1-cyclopropyl-2-[2-(2-methoxyethoxy)ethoxy]ethyl]propan-1-amine?
N-[1-cyclopropyl-2-[2-(2-methoxyethoxy)ethoxy]ethyl]propan-1-amine has a molecular weight of 245.36 g/mol, XLogP of 1.44, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclopropyl-2-[2-(2-methoxyethoxy)ethoxy]ethyl]propan-1-amine is sourced from PubChem (CID 104560815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).