N-tert-butyl-N-methyl-4-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine

C15H31NO — CID 134411056

IUPACN-tert-butyl-N-methyl-4-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine
SMILESCN(C1CCC(OC(C)(C)C)CC1)C(C)(C)C
InChIInChI=1S/C15H31NO/c1-14(2,3)16(7)12-8-10-13(11-9-12)17-15(4,5)6/h12-13H,8-11H2,1-7H3
InChIKeySKJWNVDYHZVYMG-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.84
Rot. Bonds2

About N-tert-butyl-N-methyl-4-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine

N-tert-butyl-N-methyl-4-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine (PubChem CID 134411056) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is N-tert-butyl-N-methyl-4-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-N-methyl-4-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine
PubChem CID134411056
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC NameN-tert-butyl-N-methyl-4-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine
SMILESCN(C1CCC(OC(C)(C)C)CC1)C(C)(C)C
InChIInChI=1S/C15H31NO/c1-14(2,3)16(7)12-8-10-13(11-9-12)17-15(4,5)6/h12-13H,8-11H2,1-7H3
InChIKeySKJWNVDYHZVYMG-UHFFFAOYSA-N
XLogP3.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Fluoro-3-methyl-1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]azetidine
CID 170254800
3-Fluoro-1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]azetidine
CID 170255770
4-methoxy-N-methyl-N-propylcyclohexan-1-amine
CID 45091382
1-(4-Methoxycyclohexyl)pyrrolidine
CID 57001889
4-methoxy-N,N-dimethylcyclohexan-1-amine
CID 57678115
N,N-dimethyl-4-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine
CID 58365089
N-tert-butyl-4-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine
CID 58964111
trans-(1S,2S)-N-ethyl-N-methyl-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine
CID 68244890
4-ethoxy-N,N-dimethylcyclohexan-1-amine
CID 68275124
1-(4-Methoxycyclohexyl)piperidine
CID 68355841
N-ethyl-4-methoxy-N-methylcyclohexan-1-amine
CID 69938735
(1R)-N-ethyl-N-methyl-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine
CID 70646327

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-methyl-4-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine?
The IUPAC name of N-tert-butyl-N-methyl-4-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine (CID 134411056) is N-tert-butyl-N-methyl-4-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine.
What is the SMILES notation for N-tert-butyl-N-methyl-4-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine?
The canonical SMILES for N-tert-butyl-N-methyl-4-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine is CN(C1CCC(OC(C)(C)C)CC1)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-methyl-4-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine?
The InChIKey is SKJWNVDYHZVYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-14(2,3)16(7)12-8-10-13(11-9-12)17-15(4,5)6/h12-13H,8-11H2,1-7H3.
What are the key properties of N-tert-butyl-N-methyl-4-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine?
N-tert-butyl-N-methyl-4-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-methyl-4-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine is sourced from PubChem (CID 134411056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).