3,3,5,5-tetramethyl-N-[3-(2-methylpropoxy)propyl]cyclohexan-1-amine

C17H35NO — CID 112681903

IUPAC3,3,5,5-tetramethyl-N-[3-(2-methylpropoxy)propyl]cyclohexan-1-amine
SMILESCC(C)COCCCNC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C17H35NO/c1-14(2)12-19-9-7-8-18-15-10-16(3,4)13-17(5,6)11-15/h14-15,18H,7-13H2,1-6H3
InChIKeyLNHXZKJXVARMEP-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.24
Rot. Bonds7

About 3,3,5,5-tetramethyl-N-[3-(2-methylpropoxy)propyl]cyclohexan-1-amine

3,3,5,5-tetramethyl-N-[3-(2-methylpropoxy)propyl]cyclohexan-1-amine (PubChem CID 112681903) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is 3,3,5,5-tetramethyl-N-[3-(2-methylpropoxy)propyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3,3,5,5-tetramethyl-N-[3-(2-methylpropoxy)propyl]cyclohexan-1-amine
PubChem CID112681903
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC Name3,3,5,5-tetramethyl-N-[3-(2-methylpropoxy)propyl]cyclohexan-1-amine
SMILESCC(C)COCCCNC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C17H35NO/c1-14(2)12-19-9-7-8-18-15-10-16(3,4)13-17(5,6)11-15/h14-15,18H,7-13H2,1-6H3
InChIKeyLNHXZKJXVARMEP-UHFFFAOYSA-N
XLogP4.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.24
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-[3-(2-methylpropoxy)propyl]cyclopentanamine
CID 28681533
N-[4-(2-methylpropoxy)butyl]cyclopropanamine
CID 62445498
2,4,4-trimethyl-N-[3-(2-methylpropoxy)propyl]cyclopentan-1-amine
CID 106661703
2,2,5,5-tetramethyl-N-[3-(2-methylpropoxy)propyl]oxolan-3-amine
CID 79917065
N-(5-methoxypentyl)-3,3,5,5-tetramethylcyclohexan-1-amine
CID 113362658
3-ethoxy-N-[3-(2-methylpropoxy)propyl]cyclobutan-1-amine
CID 112553021
N-(2-cyclopentyloxyethyl)-3,3,5,5-tetramethylcyclohexan-1-amine
CID 112682122
3,3,5,5-tetramethyl-N-pentylcyclohexan-1-amine
CID 112681822
N-[2-[2-(dimethylamino)ethoxy]ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103080762
3,3,5,5-tetramethyl-N-(3-methylsulfinylbutyl)cyclohexan-1-amine
CID 103991395
4-methyl-N-[2-(2-methylpropoxy)ethyl]cyclohexan-1-amine
CID 62567459
N,N-dimethyl-4-[3-(2-methylpropoxy)propylamino]piperidine-1-carboxamide
CID 83199097

Frequently Asked Questions

What is the IUPAC name of 3,3,5,5-tetramethyl-N-[3-(2-methylpropoxy)propyl]cyclohexan-1-amine?
The IUPAC name of 3,3,5,5-tetramethyl-N-[3-(2-methylpropoxy)propyl]cyclohexan-1-amine (CID 112681903) is 3,3,5,5-tetramethyl-N-[3-(2-methylpropoxy)propyl]cyclohexan-1-amine.
What is the SMILES notation for 3,3,5,5-tetramethyl-N-[3-(2-methylpropoxy)propyl]cyclohexan-1-amine?
The canonical SMILES for 3,3,5,5-tetramethyl-N-[3-(2-methylpropoxy)propyl]cyclohexan-1-amine is CC(C)COCCCNC1CC(C)(C)CC(C)(C)C1.
What is the InChIKey of 3,3,5,5-tetramethyl-N-[3-(2-methylpropoxy)propyl]cyclohexan-1-amine?
The InChIKey is LNHXZKJXVARMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-14(2)12-19-9-7-8-18-15-10-16(3,4)13-17(5,6)11-15/h14-15,18H,7-13H2,1-6H3.
What are the key properties of 3,3,5,5-tetramethyl-N-[3-(2-methylpropoxy)propyl]cyclohexan-1-amine?
3,3,5,5-tetramethyl-N-[3-(2-methylpropoxy)propyl]cyclohexan-1-amine has a molecular weight of 269.47 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,5-tetramethyl-N-[3-(2-methylpropoxy)propyl]cyclohexan-1-amine is sourced from PubChem (CID 112681903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).