N-(2-cyclopentyloxyethyl)-3,3,5,5-tetramethylcyclohexan-1-amine

C17H33NO — CID 112682122

IUPACN-(2-cyclopentyloxyethyl)-3,3,5,5-tetramethylcyclohexan-1-amine
SMILESCC1(C)CC(NCCOC2CCCC2)CC(C)(C)C1
InChIInChI=1S/C17H33NO/c1-16(2)11-14(12-17(3,4)13-16)18-9-10-19-15-7-5-6-8-15/h14-15,18H,5-13H2,1-4H3
InChIKeyXVWTVQPZQDHMSG-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.14
Rot. Bonds5

About N-(2-cyclopentyloxyethyl)-3,3,5,5-tetramethylcyclohexan-1-amine

N-(2-cyclopentyloxyethyl)-3,3,5,5-tetramethylcyclohexan-1-amine (PubChem CID 112682122) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is N-(2-cyclopentyloxyethyl)-3,3,5,5-tetramethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(2-cyclopentyloxyethyl)-3,3,5,5-tetramethylcyclohexan-1-amine
PubChem CID112682122
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC NameN-(2-cyclopentyloxyethyl)-3,3,5,5-tetramethylcyclohexan-1-amine
SMILESCC1(C)CC(NCCOC2CCCC2)CC(C)(C)C1
InChIInChI=1S/C17H33NO/c1-16(2)11-14(12-17(3,4)13-16)18-9-10-19-15-7-5-6-8-15/h14-15,18H,5-13H2,1-4H3
InChIKeyXVWTVQPZQDHMSG-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyclohexyloxyethyl)cyclohexanamine
CID 62567044
N-(2-cycloheptyloxyethyl)-4-methylcyclohexan-1-amine
CID 62583471
N-(2-cyclopentyloxyethyl)-3-methoxycyclobutan-1-amine
CID 104871151
N-(2-cyclopentyloxyethyl)spiro[4.5]decan-8-amine
CID 114817665
N-(2-cyclobutyloxyethyl)-4-methylcyclohexan-1-amine
CID 62584943
N-(2-cyclopentyloxyethyl)oxan-4-amine
CID 63099341
N-(5-methoxypentyl)-3,3,5,5-tetramethylcyclohexan-1-amine
CID 113362658
3,3,5,5-tetramethyl-N-[3-(2-methylpropoxy)propyl]cyclohexan-1-amine
CID 112681903
N-(2-cyclopentyloxyethyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79903516
N-[2-[2-(dimethylamino)ethoxy]ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103080762
N-(2-cyclohexyloxyethyl)-2,2,5,5-tetramethyloxolan-3-amine
CID 79927034
N-(2-piperidin-4-yloxyethyl)cyclopropanamine
CID 63903398

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentyloxyethyl)-3,3,5,5-tetramethylcyclohexan-1-amine?
The IUPAC name of N-(2-cyclopentyloxyethyl)-3,3,5,5-tetramethylcyclohexan-1-amine (CID 112682122) is N-(2-cyclopentyloxyethyl)-3,3,5,5-tetramethylcyclohexan-1-amine.
What is the SMILES notation for N-(2-cyclopentyloxyethyl)-3,3,5,5-tetramethylcyclohexan-1-amine?
The canonical SMILES for N-(2-cyclopentyloxyethyl)-3,3,5,5-tetramethylcyclohexan-1-amine is CC1(C)CC(NCCOC2CCCC2)CC(C)(C)C1.
What is the InChIKey of N-(2-cyclopentyloxyethyl)-3,3,5,5-tetramethylcyclohexan-1-amine?
The InChIKey is XVWTVQPZQDHMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-16(2)11-14(12-17(3,4)13-16)18-9-10-19-15-7-5-6-8-15/h14-15,18H,5-13H2,1-4H3.
What are the key properties of N-(2-cyclopentyloxyethyl)-3,3,5,5-tetramethylcyclohexan-1-amine?
N-(2-cyclopentyloxyethyl)-3,3,5,5-tetramethylcyclohexan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentyloxyethyl)-3,3,5,5-tetramethylcyclohexan-1-amine is sourced from PubChem (CID 112682122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).