N-[[4-methyl-1-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]propan-2-amine

C15H31NO — CID 62108572

IUPACN-[[4-methyl-1-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]propan-2-amine
SMILESCC1CCC(CNC(C)C)(OC(C)(C)C)CC1
InChIInChI=1S/C15H31NO/c1-12(2)16-11-15(17-14(4,5)6)9-7-13(3)8-10-15/h12-13,16H,7-11H2,1-6H3
InChIKeyFYQHPLLACNPRQS-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.75
Rot. Bonds4

About N-[[4-methyl-1-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]propan-2-amine

N-[[4-methyl-1-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]propan-2-amine (PubChem CID 62108572) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is N-[[4-methyl-1-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-methyl-1-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]propan-2-amine
PubChem CID62108572
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC NameN-[[4-methyl-1-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]propan-2-amine
SMILESCC1CCC(CNC(C)C)(OC(C)(C)C)CC1
InChIInChI=1S/C15H31NO/c1-12(2)16-11-15(17-14(4,5)6)9-7-13(3)8-10-15/h12-13,16H,7-11H2,1-6H3
InChIKeyFYQHPLLACNPRQS-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[4-methyl-1-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[1-(3,4-dimethylcyclohexyl)oxy-4-methylcyclohexyl]methyl]propan-2-amine
CID 64744957
N-[[1-(2-methoxyethoxy)-4-methylcyclohexyl]methyl]propan-2-amine
CID 62106730
N-[[1-(2,2-difluoroethoxy)-4-methylcyclohexyl]methyl]propan-2-amine
CID 82007335
N-[[4-methyl-1-[2-(2-methylpropoxy)ethoxy]cyclohexyl]methyl]propan-2-amine
CID 106449180
N-[[3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexyl]methyl]propan-2-amine
CID 115942700
N-[[4-tert-butyl-1-(3-methylbutoxy)cyclohexyl]methyl]propan-2-amine
CID 63475880
N-[[1-(2-cyclobutylethoxy)-3-methylcyclohexyl]methyl]propan-2-amine
CID 106205092
N-[(1-ethoxy-3-methylcyclohexyl)methyl]propan-2-amine
CID 62109080
N-[(1-cyclobutyloxy-3-methylcyclohexyl)methyl]propan-2-amine
CID 62383858
3-methyl-1-[(propan-2-ylamino)methyl]cyclopentan-1-ol
CID 64515514
N-[(1-methoxy-4-methylcyclohexyl)methyl]-2-methylpropan-2-amine
CID 62108177
N-[(1-butan-2-yloxy-4-propylcyclohexyl)methyl]propan-2-amine
CID 63473518

Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-1-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-methyl-1-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]propan-2-amine (CID 62108572) is N-[[4-methyl-1-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-methyl-1-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-methyl-1-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]propan-2-amine is CC1CCC(CNC(C)C)(OC(C)(C)C)CC1.
What is the InChIKey of N-[[4-methyl-1-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]propan-2-amine?
The InChIKey is FYQHPLLACNPRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-12(2)16-11-15(17-14(4,5)6)9-7-13(3)8-10-15/h12-13,16H,7-11H2,1-6H3.
What are the key properties of N-[[4-methyl-1-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]propan-2-amine?
N-[[4-methyl-1-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]propan-2-amine has a molecular weight of 241.42 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-1-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 62108572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).