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

C17H35NO2 — CID 103410736

IUPACN-ethyl-2-[3-(2-methoxyethoxy)propyl]-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NCC)C(CCCOCCOC)C1
InChIInChI=1S/C17H35NO2/c1-4-7-15-9-10-17(18-5-2)16(14-15)8-6-11-20-13-12-19-3/h15-18H,4-14H2,1-3H3
InChIKeySMMVQLUJCPAUNB-UHFFFAOYSA-N
MW285.47 g/mol
LogP3.62
Rot. Bonds11

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

N-ethyl-2-[3-(2-methoxyethoxy)propyl]-4-propylcyclohexan-1-amine (PubChem CID 103410736) has the molecular formula C17H35NO2 and a molecular weight of 285.47 g/mol. Its IUPAC name is N-ethyl-2-[3-(2-methoxyethoxy)propyl]-4-propylcyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[3-(2-methoxyethoxy)propyl]-4-propylcyclohexan-1-amine
PubChem CID103410736
Molecular FormulaC17H35NO2
Molecular Weight285.47 g/mol
Exact Mass285.27
IUPAC NameN-ethyl-2-[3-(2-methoxyethoxy)propyl]-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NCC)C(CCCOCCOC)C1
InChIInChI=1S/C17H35NO2/c1-4-7-15-9-10-17(18-5-2)16(14-15)8-6-11-20-13-12-19-3/h15-18H,4-14H2,1-3H3
InChIKeySMMVQLUJCPAUNB-UHFFFAOYSA-N
XLogP3.62
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.47
LogP ≤ 53.62
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

2-[3-(2-methoxyethoxy)propyl]-N,4-dipropylcyclohexan-1-amine
CID 103410737
2-[3-(2-methoxyethoxy)propyl]-4-propylcyclohexan-1-amine
CID 103410732
1-bromo-2-[3-(2-methoxyethoxy)propyl]-4-propylcyclohexane
CID 103411900
2-(3-ethoxypropyl)-N,4-dipropylcyclohexan-1-amine
CID 65180818
N-ethyl-3-[3-(2-methoxyethoxy)propyl]oxan-4-amine
CID 106469345
2-(2-propoxyethyl)-N,4-dipropylcyclohexan-1-amine
CID 106454487
2-butyl-N,4-diethylcyclohexan-1-amine
CID 63403670
N-ethyl-2-(2-ethylsulfanylethyl)-4-propylcyclohexan-1-amine
CID 113473890
4-ethyl-2-(4-methoxybutyl)-N-propylcyclohexan-1-amine
CID 113436996
2-decyl-N,4-diethylcyclohexan-1-amine
CID 63403278
2-(cyclopentylmethyl)-N-ethyl-4-propylcyclohexan-1-amine
CID 63401306
2-[[ethyl(2-methoxyethyl)amino]methyl]-N,4-dipropylcyclohexan-1-amine
CID 63495212

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[3-(2-methoxyethoxy)propyl]-4-propylcyclohexan-1-amine?
The IUPAC name of N-ethyl-2-[3-(2-methoxyethoxy)propyl]-4-propylcyclohexan-1-amine (CID 103410736) is N-ethyl-2-[3-(2-methoxyethoxy)propyl]-4-propylcyclohexan-1-amine.
What is the SMILES notation for N-ethyl-2-[3-(2-methoxyethoxy)propyl]-4-propylcyclohexan-1-amine?
The canonical SMILES for N-ethyl-2-[3-(2-methoxyethoxy)propyl]-4-propylcyclohexan-1-amine is CCCC1CCC(NCC)C(CCCOCCOC)C1.
What is the InChIKey of N-ethyl-2-[3-(2-methoxyethoxy)propyl]-4-propylcyclohexan-1-amine?
The InChIKey is SMMVQLUJCPAUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO2/c1-4-7-15-9-10-17(18-5-2)16(14-15)8-6-11-20-13-12-19-3/h15-18H,4-14H2,1-3H3.
What are the key properties of N-ethyl-2-[3-(2-methoxyethoxy)propyl]-4-propylcyclohexan-1-amine?
N-ethyl-2-[3-(2-methoxyethoxy)propyl]-4-propylcyclohexan-1-amine has a molecular weight of 285.47 g/mol, XLogP of 3.62, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-(2-methoxyethoxy)propyl]-4-propylcyclohexan-1-amine is sourced from PubChem (CID 103410736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).