N-(5-methoxypentyl)-3,3,5,5-tetramethylcyclohexan-1-amine

C16H33NO — CID 113362658

IUPACN-(5-methoxypentyl)-3,3,5,5-tetramethylcyclohexan-1-amine
SMILESCOCCCCCNC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C16H33NO/c1-15(2)11-14(12-16(3,4)13-15)17-9-7-6-8-10-18-5/h14,17H,6-13H2,1-5H3
InChIKeyWRKFGLXGYFLLGT-UHFFFAOYSA-N
MW255.45 g/mol
LogP4.00
Rot. Bonds7

About N-(5-methoxypentyl)-3,3,5,5-tetramethylcyclohexan-1-amine

N-(5-methoxypentyl)-3,3,5,5-tetramethylcyclohexan-1-amine (PubChem CID 113362658) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is N-(5-methoxypentyl)-3,3,5,5-tetramethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(5-methoxypentyl)-3,3,5,5-tetramethylcyclohexan-1-amine
PubChem CID113362658
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC NameN-(5-methoxypentyl)-3,3,5,5-tetramethylcyclohexan-1-amine
SMILESCOCCCCCNC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C16H33NO/c1-15(2)11-14(12-16(3,4)13-15)17-9-7-6-8-10-18-5/h14,17H,6-13H2,1-5H3
InChIKeyWRKFGLXGYFLLGT-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 54.00
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

3,3,5,5-tetramethyl-N-pentylcyclohexan-1-amine
CID 112681822
N'-methyl-N,N'-bis(3,3,5,5-tetramethylcyclohexyl)hexane-1,6-diamine
CID 158648176
N-(5-methoxypentyl)thietan-3-amine
CID 135392195
N-(5-methoxypentyl)cyclooctanamine
CID 115714847
3,3,5,5-tetramethyl-N-[3-(2-methylpropoxy)propyl]cyclohexan-1-amine
CID 112681903
N-(2-cyclopentyloxyethyl)-3,3,5,5-tetramethylcyclohexan-1-amine
CID 112682122
N-(5-methoxypentyl)thian-4-amine
CID 103631860
N-(5-methoxypentyl)-4-propan-2-ylcyclohexan-1-amine
CID 103698848
N-[2-[2-(dimethylamino)ethoxy]ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103080762
N-(4-methoxybutyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79894953
N-(5-methoxypentyl)-1,5-dimethylpyrrolidin-3-amine
CID 115714830
N-(2-but-3-enoxyethyl)-3,3,5,5-tetramethylcyclohexan-1-amine
CID 106397216

Frequently Asked Questions

What is the IUPAC name of N-(5-methoxypentyl)-3,3,5,5-tetramethylcyclohexan-1-amine?
The IUPAC name of N-(5-methoxypentyl)-3,3,5,5-tetramethylcyclohexan-1-amine (CID 113362658) is N-(5-methoxypentyl)-3,3,5,5-tetramethylcyclohexan-1-amine.
What is the SMILES notation for N-(5-methoxypentyl)-3,3,5,5-tetramethylcyclohexan-1-amine?
The canonical SMILES for N-(5-methoxypentyl)-3,3,5,5-tetramethylcyclohexan-1-amine is COCCCCCNC1CC(C)(C)CC(C)(C)C1.
What is the InChIKey of N-(5-methoxypentyl)-3,3,5,5-tetramethylcyclohexan-1-amine?
The InChIKey is WRKFGLXGYFLLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-15(2)11-14(12-16(3,4)13-15)17-9-7-6-8-10-18-5/h14,17H,6-13H2,1-5H3.
What are the key properties of N-(5-methoxypentyl)-3,3,5,5-tetramethylcyclohexan-1-amine?
N-(5-methoxypentyl)-3,3,5,5-tetramethylcyclohexan-1-amine has a molecular weight of 255.45 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxypentyl)-3,3,5,5-tetramethylcyclohexan-1-amine is sourced from PubChem (CID 113362658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).