2-tert-butyl-N-(2-methoxy-2-methylpropyl)cyclohexan-1-amine

C15H31NO — CID 115728691

IUPAC2-tert-butyl-N-(2-methoxy-2-methylpropyl)cyclohexan-1-amine
SMILESCOC(C)(C)CNC1CCCCC1C(C)(C)C
InChIInChI=1S/C15H31NO/c1-14(2,3)12-9-7-8-10-13(12)16-11-15(4,5)17-6/h12-13,16H,7-11H2,1-6H3
InChIKeyKSOOVGRQPNYRBS-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.61
Rot. Bonds4

About 2-tert-butyl-N-(2-methoxy-2-methylpropyl)cyclohexan-1-amine

2-tert-butyl-N-(2-methoxy-2-methylpropyl)cyclohexan-1-amine (PubChem CID 115728691) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 2-tert-butyl-N-(2-methoxy-2-methylpropyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-tert-butyl-N-(2-methoxy-2-methylpropyl)cyclohexan-1-amine
PubChem CID115728691
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name2-tert-butyl-N-(2-methoxy-2-methylpropyl)cyclohexan-1-amine
SMILESCOC(C)(C)CNC1CCCCC1C(C)(C)C
InChIInChI=1S/C15H31NO/c1-14(2,3)12-9-7-8-10-13(12)16-11-15(4,5)17-6/h12-13,16H,7-11H2,1-6H3
InChIKeyKSOOVGRQPNYRBS-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 43079272
2-tert-butyl-N-(2,2-dimethylbutyl)cyclohexan-1-amine
CID 103460679
cis-(1R,2R)-2-tert-butyl-N-(3-methoxypropyl)cyclohexan-1-amine
CID 28673271
2-[(2-tert-butylcyclohexyl)amino]ethanol
CID 43085233
2-tert-butyl-N-(2,2-difluoroethyl)cyclohexan-1-amine
CID 78958691
methyl N-[2-[[(1R,2S)-2-tert-butylcyclohexyl]amino]acetyl]carbamate
CID 95334331
2-tert-butyl-N-octylcyclohexan-1-amine
CID 60663873
2-tert-butyl-N-[(1-methylcyclopentyl)methyl]cyclohexan-1-amine
CID 55261404
(2-tert-butylcyclohexyl)hydrazine
CID 18070389
1-[[(2-tert-butylcyclohexyl)amino]methyl]-N,N-dimethylcyclohexan-1-amine
CID 43081498
N-(cyclohexylmethyl)-2-methoxy-2-methylpropan-1-amine
CID 115757000
2-tert-butyl-N-(2-ethylsulfonylethyl)cyclohexan-1-amine
CID 113261091

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-(2-methoxy-2-methylpropyl)cyclohexan-1-amine?
The IUPAC name of 2-tert-butyl-N-(2-methoxy-2-methylpropyl)cyclohexan-1-amine (CID 115728691) is 2-tert-butyl-N-(2-methoxy-2-methylpropyl)cyclohexan-1-amine.
What is the SMILES notation for 2-tert-butyl-N-(2-methoxy-2-methylpropyl)cyclohexan-1-amine?
The canonical SMILES for 2-tert-butyl-N-(2-methoxy-2-methylpropyl)cyclohexan-1-amine is COC(C)(C)CNC1CCCCC1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-N-(2-methoxy-2-methylpropyl)cyclohexan-1-amine?
The InChIKey is KSOOVGRQPNYRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-14(2,3)12-9-7-8-10-13(12)16-11-15(4,5)17-6/h12-13,16H,7-11H2,1-6H3.
What are the key properties of 2-tert-butyl-N-(2-methoxy-2-methylpropyl)cyclohexan-1-amine?
2-tert-butyl-N-(2-methoxy-2-methylpropyl)cyclohexan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(2-methoxy-2-methylpropyl)cyclohexan-1-amine is sourced from PubChem (CID 115728691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).