2-[3-(2-methoxyethoxy)propoxy]-N-propylcyclohexan-1-amine

C15H31NO3 — CID 103401822

IUPAC2-[3-(2-methoxyethoxy)propoxy]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCCC1OCCCOCCOC
InChIInChI=1S/C15H31NO3/c1-3-9-16-14-7-4-5-8-15(14)19-11-6-10-18-13-12-17-2/h14-16H,3-13H2,1-2H3
InChIKeyKERZBMHOYUIGKJ-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.37
Rot. Bonds11

About 2-[3-(2-methoxyethoxy)propoxy]-N-propylcyclohexan-1-amine

2-[3-(2-methoxyethoxy)propoxy]-N-propylcyclohexan-1-amine (PubChem CID 103401822) has the molecular formula C15H31NO3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-[3-(2-methoxyethoxy)propoxy]-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[3-(2-methoxyethoxy)propoxy]-N-propylcyclohexan-1-amine
PubChem CID103401822
Molecular FormulaC15H31NO3
Molecular Weight273.42 g/mol
Exact Mass273.23
IUPAC Name2-[3-(2-methoxyethoxy)propoxy]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCCC1OCCCOCCOC
InChIInChI=1S/C15H31NO3/c1-3-9-16-14-7-4-5-8-15(14)19-11-6-10-18-13-12-17-2/h14-16H,3-13H2,1-2H3
InChIKeyKERZBMHOYUIGKJ-UHFFFAOYSA-N
XLogP2.37
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.37
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

2-(2-propoxyethoxy)-N-propylcycloheptan-1-amine
CID 55233054
N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]cyclohexan-1-amine
CID 104560797
2-octoxy-N-propylcyclooctan-1-amine
CID 63476166
2-octoxy-N-propylcycloheptan-1-amine
CID 63473942
2-propoxy-N-propylcyclododecan-1-amine
CID 63500356
N-ethyl-2-hexoxycycloheptan-1-amine
CID 55135932
N-ethyl-2-octoxycycloheptan-1-amine
CID 63473760
3-[3-(2-methoxyethoxy)propoxy]-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 103408104
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylcycloheptan-1-amine
CID 104562465
N-[2-(2-methoxyethoxy)ethyl]-2-methylsulfanylcyclohexan-1-amine
CID 115712458
2-[(4-bromophenyl)methoxy]-N-propylcyclohexan-1-amine
CID 82832119
2-[(2-methylpropan-2-yl)oxy]-N-propylcyclododecan-1-amine
CID 63475623

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxyethoxy)propoxy]-N-propylcyclohexan-1-amine?
The IUPAC name of 2-[3-(2-methoxyethoxy)propoxy]-N-propylcyclohexan-1-amine (CID 103401822) is 2-[3-(2-methoxyethoxy)propoxy]-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-[3-(2-methoxyethoxy)propoxy]-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-[3-(2-methoxyethoxy)propoxy]-N-propylcyclohexan-1-amine is CCCNC1CCCCC1OCCCOCCOC.
What is the InChIKey of 2-[3-(2-methoxyethoxy)propoxy]-N-propylcyclohexan-1-amine?
The InChIKey is KERZBMHOYUIGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO3/c1-3-9-16-14-7-4-5-8-15(14)19-11-6-10-18-13-12-17-2/h14-16H,3-13H2,1-2H3.
What are the key properties of 2-[3-(2-methoxyethoxy)propoxy]-N-propylcyclohexan-1-amine?
2-[3-(2-methoxyethoxy)propoxy]-N-propylcyclohexan-1-amine has a molecular weight of 273.42 g/mol, XLogP of 2.37, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxyethoxy)propoxy]-N-propylcyclohexan-1-amine is sourced from PubChem (CID 103401822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).