N-(2-cyclohexyloxyethyl)propan-2-amine;1-methyl-4-propan-2-ylpiperidine

C20H42N2O — CID 166118635

IUPACN-(2-cyclohexyloxyethyl)propan-2-amine;1-methyl-4-propan-2-ylpiperidine
SMILESCC(C)C1CCN(C)CC1.CC(C)NCCOC1CCCCC1
InChIInChI=1S/C11H23NO.C9H19N/c1-10(2)12-8-9-13-11-6-4-3-5-7-11;1-8(2)9-4-6-10(3)7-5-9/h10-12H,3-9H2,1-2H3;8-9H,4-7H2,1-3H3
InChIKeyZQUUVZJQAMOEHI-UHFFFAOYSA-N
MW326.57 g/mol
LogP4.32
Rot. Bonds6

About N-(2-cyclohexyloxyethyl)propan-2-amine;1-methyl-4-propan-2-ylpiperidine

N-(2-cyclohexyloxyethyl)propan-2-amine;1-methyl-4-propan-2-ylpiperidine (PubChem CID 166118635) has the molecular formula C20H42N2O and a molecular weight of 326.57 g/mol. Its IUPAC name is N-(2-cyclohexyloxyethyl)propan-2-amine;1-methyl-4-propan-2-ylpiperidine.

Molecular Properties

Compound NameN-(2-cyclohexyloxyethyl)propan-2-amine;1-methyl-4-propan-2-ylpiperidine
PubChem CID166118635
Molecular FormulaC20H42N2O
Molecular Weight326.57 g/mol
Exact Mass326.33
IUPAC NameN-(2-cyclohexyloxyethyl)propan-2-amine;1-methyl-4-propan-2-ylpiperidine
SMILESCC(C)C1CCN(C)CC1.CC(C)NCCOC1CCCCC1
InChIInChI=1S/C11H23NO.C9H19N/c1-10(2)12-8-9-13-11-6-4-3-5-7-11;1-8(2)9-4-6-10(3)7-5-9/h10-12H,3-9H2,1-2H3;8-9H,4-7H2,1-3H3
InChIKeyZQUUVZJQAMOEHI-UHFFFAOYSA-N
XLogP4.32
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.57
LogP ≤ 54.32
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-methyl-4-propoxyazonane
CID 134172223
N-(3-cyclohexyloxypropyl)-1-methylpiperidin-4-amine
CID 28720054
1-[4-[2-(propan-2-ylamino)ethoxy]piperidin-1-yl]propane-2-thiol
CID 166733114
N-(2-cyclopentyloxyethyl)-1-methoxypropan-2-amine
CID 62567439
1-(1-methylpiperidin-4-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 104584745
N-(2-cyclopentyloxyethyl)octan-2-amine
CID 55259713
2-cyclopentyloxy-N-(2-propan-2-yloxyethyl)ethanamine
CID 63826960
ethyl 3-(2-cyclohexyloxyethylamino)butanoate
CID 63828571
N-butyl-2-(2-cyclopentyloxyethylamino)propanamide
CID 55261648
N-[[1-(2-cyclohexyloxyethyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 63827714
N-(2-cyclohexyloxyethyl)heptan-3-amine
CID 63946956
N-(2-cyclohexyloxyethyl)-1-propylpiperidin-4-amine
CID 63826760

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyloxyethyl)propan-2-amine;1-methyl-4-propan-2-ylpiperidine?
The IUPAC name of N-(2-cyclohexyloxyethyl)propan-2-amine;1-methyl-4-propan-2-ylpiperidine (CID 166118635) is N-(2-cyclohexyloxyethyl)propan-2-amine;1-methyl-4-propan-2-ylpiperidine.
What is the SMILES notation for N-(2-cyclohexyloxyethyl)propan-2-amine;1-methyl-4-propan-2-ylpiperidine?
The canonical SMILES for N-(2-cyclohexyloxyethyl)propan-2-amine;1-methyl-4-propan-2-ylpiperidine is CC(C)C1CCN(C)CC1.CC(C)NCCOC1CCCCC1.
What is the InChIKey of N-(2-cyclohexyloxyethyl)propan-2-amine;1-methyl-4-propan-2-ylpiperidine?
The InChIKey is ZQUUVZJQAMOEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO.C9H19N/c1-10(2)12-8-9-13-11-6-4-3-5-7-11;1-8(2)9-4-6-10(3)7-5-9/h10-12H,3-9H2,1-2H3;8-9H,4-7H2,1-3H3.
What are the key properties of N-(2-cyclohexyloxyethyl)propan-2-amine;1-methyl-4-propan-2-ylpiperidine?
N-(2-cyclohexyloxyethyl)propan-2-amine;1-methyl-4-propan-2-ylpiperidine has a molecular weight of 326.57 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyloxyethyl)propan-2-amine;1-methyl-4-propan-2-ylpiperidine is sourced from PubChem (CID 166118635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).