2-[3-(2-methoxyethoxy)propyl]-4-propylcyclohexan-1-amine

C15H31NO2 — CID 103410732

IUPAC2-[3-(2-methoxyethoxy)propyl]-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)C(CCCOCCOC)C1
InChIInChI=1S/C15H31NO2/c1-3-5-13-7-8-15(16)14(12-13)6-4-9-18-11-10-17-2/h13-15H,3-12,16H2,1-2H3
InChIKeyCXHQYAQUQBNJSZ-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.97
Rot. Bonds9

About 2-[3-(2-methoxyethoxy)propyl]-4-propylcyclohexan-1-amine

2-[3-(2-methoxyethoxy)propyl]-4-propylcyclohexan-1-amine (PubChem CID 103410732) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 2-[3-(2-methoxyethoxy)propyl]-4-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[3-(2-methoxyethoxy)propyl]-4-propylcyclohexan-1-amine
PubChem CID103410732
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name2-[3-(2-methoxyethoxy)propyl]-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)C(CCCOCCOC)C1
InChIInChI=1S/C15H31NO2/c1-3-5-13-7-8-15(16)14(12-13)6-4-9-18-11-10-17-2/h13-15H,3-12,16H2,1-2H3
InChIKeyCXHQYAQUQBNJSZ-UHFFFAOYSA-N
XLogP2.97
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-2-[3-(2-methoxyethoxy)propyl]-4-propylcyclohexane
CID 103411900
4-ethyl-2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclohexan-1-amine
CID 104564608
N-ethyl-2-[3-(2-methoxyethoxy)propyl]-4-propylcyclohexan-1-amine
CID 103410736
2-[3-(2-methoxyethoxy)propyl]cyclobutan-1-amine
CID 103415817
2-[3-(2-methoxyethoxy)propyl]-N,4-dipropylcyclohexan-1-amine
CID 103410737
2-heptyl-4-propylcyclohexan-1-amine
CID 63403454
2-[[3-methoxypropyl(methyl)amino]methyl]-4-propylcyclohexan-1-amine
CID 63007747
2-(propoxymethyl)-4-propylcyclohexan-1-amine
CID 81013169
2-[3-(2-methoxyethoxy)propyl]cyclohexan-1-amine
CID 103410699
2-(3-ethylsulfonylpropyl)-4-propylcyclohexan-1-amine
CID 65097775
2-[[cyclopropyl(2-methoxyethyl)amino]methyl]-4-propylcyclohexan-1-amine
CID 62608938
4-[3-(2-methoxyethoxy)propyl]thiolan-3-amine
CID 103410771

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxyethoxy)propyl]-4-propylcyclohexan-1-amine?
The IUPAC name of 2-[3-(2-methoxyethoxy)propyl]-4-propylcyclohexan-1-amine (CID 103410732) is 2-[3-(2-methoxyethoxy)propyl]-4-propylcyclohexan-1-amine.
What is the SMILES notation for 2-[3-(2-methoxyethoxy)propyl]-4-propylcyclohexan-1-amine?
The canonical SMILES for 2-[3-(2-methoxyethoxy)propyl]-4-propylcyclohexan-1-amine is CCCC1CCC(N)C(CCCOCCOC)C1.
What is the InChIKey of 2-[3-(2-methoxyethoxy)propyl]-4-propylcyclohexan-1-amine?
The InChIKey is CXHQYAQUQBNJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-3-5-13-7-8-15(16)14(12-13)6-4-9-18-11-10-17-2/h13-15H,3-12,16H2,1-2H3.
What are the key properties of 2-[3-(2-methoxyethoxy)propyl]-4-propylcyclohexan-1-amine?
2-[3-(2-methoxyethoxy)propyl]-4-propylcyclohexan-1-amine has a molecular weight of 257.42 g/mol, XLogP of 2.97, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxyethoxy)propyl]-4-propylcyclohexan-1-amine is sourced from PubChem (CID 103410732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).